(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid

C7H13NO2 — CID 95757427

IUPAC(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)[C@@H]1N
InChIInChI=1S/C7H13NO2/c1-4-2-3-5(6(4)8)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/t4-,5+,6+/m0/s1
InChIKeyRDEWDYOMQAEUBN-KVQBGUIXSA-N
MW143.19 g/mol
LogP0.44
Rot. Bonds1

About (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid

(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid (PubChem CID 95757427) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
PubChem CID95757427
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
SMILESC[C@H]1CC[C@@H](C(=O)O)[C@@H]1N
InChIInChI=1S/C7H13NO2/c1-4-2-3-5(6(4)8)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/t4-,5+,6+/m0/s1
InChIKeyRDEWDYOMQAEUBN-KVQBGUIXSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-3-methylcyclopentane-1-carboxylate
CID 54300457
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
4-amino-2-methylcyclopentane-1-carboxylic acid
CID 89122843
(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
CID 95757429
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
(1S,2S,5R)-2-amino-5-methylcyclopentane-1-carboxylic acid
CID 124526527
(1S,2R,3S,4S)-3,4-dimethylcyclohexane-1,2-dicarboxylic acid
CID 130754496
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid (CID 95757427) is (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid is C[C@H]1CC[C@@H](C(=O)O)[C@@H]1N.
What is the InChIKey of (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is RDEWDYOMQAEUBN-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-2-3-5(6(4)8)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/t4-,5+,6+/m0/s1.
What are the key properties of (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid?
(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 95757427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).