(R)-3-Methyl-pentanoic acid
PubChem CID: 853471
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| Compound Synonyms | 16958-25-1, (R)-3-METHYL-PENTANOIC ACID, (R)-3-methylpentanoic acid, (3R)-3-methylpentanoic acid, (R)-3-METHYL-PENTANOICACID, (R)-3-Methylpentanoicacid, MFCD06809587, Pentanoic acid, 3-methyl-, (3R)-, SCHEMBL762722, IGIDLTISMCAULB-RXMQYKEDSA-N, AKOS016843439, AS-38071, DB-027146, CS-0172023 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-methylpentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C6H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IGIDLTISMCAULB-RXMQYKEDSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.688 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.82 |
| Compound Name | (R)-3-Methyl-pentanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 116.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3701919999999999 |
| Inchi | InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1 |
| Smiles | CC[C@@H](C)CC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients