(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid

C7H12O3 — CID 160545951

IUPAC(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)C[C@@H]1O
InChIInChI=1S/C7H12O3/c1-4-2-5(7(9)10)3-6(4)8/h4-6,8H,2-3H2,1H3,(H,9,10)/t4-,5+,6+/m1/s1
InChIKeyLBXGBQDKZKMWJO-SRQIZXRXSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds1

About (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid

(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid (PubChem CID 160545951) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
PubChem CID160545951
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)C[C@@H]1O
InChIInChI=1S/C7H12O3/c1-4-2-5(7(9)10)3-6(4)8/h4-6,8H,2-3H2,1H3,(H,9,10)/t4-,5+,6+/m1/s1
InChIKeyLBXGBQDKZKMWJO-SRQIZXRXSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 135389555
3-hydroxy-4-methylcyclohexane-1-carboxylic acid
CID 13413129
4-hydroxy-5-methylcyclohexane-1,2-dicarboxylic acid
CID 71027320
3-methylcyclobutane-1-carboxylic acid
CID 3044406
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 68663178
3-hydroxy-4-iodocyclopentane-1-carboxylic acid
CID 146364335
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid (CID 160545951) is (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid is C[C@@H]1C[C@H](C(=O)O)C[C@@H]1O.
What is the InChIKey of (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is LBXGBQDKZKMWJO-SRQIZXRXSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-2-5(7(9)10)3-6(4)8/h4-6,8H,2-3H2,1H3,(H,9,10)/t4-,5+,6+/m1/s1.
What are the key properties of (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 160545951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).