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

C8H15NO2 — CID 95757429

IUPAC(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
SMILESC[C@H]1CC[C@H](C(=O)O)[C@@H]1CN
InChIInChI=1S/C8H15NO2/c1-5-2-3-6(8(10)11)7(5)4-9/h5-7H,2-4,9H2,1H3,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyYDGNDSXQTALTQR-LYFYHCNISA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

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

(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid (PubChem CID 95757429) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
PubChem CID95757429
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
SMILESC[C@H]1CC[C@H](C(=O)O)[C@@H]1CN
InChIInChI=1S/C8H15NO2/c1-5-2-3-6(8(10)11)7(5)4-9/h5-7H,2-4,9H2,1H3,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyYDGNDSXQTALTQR-LYFYHCNISA-N
XLogP0.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
CID 95757427
(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol
CID 95757404
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
8-(aminomethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115016482
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(2,7-dimethylcycloheptyl)methanamine
CID 83905212
2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid
CID 105427429
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 78144501
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid (CID 95757429) is (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid is C[C@H]1CC[C@H](C(=O)O)[C@@H]1CN.
What is the InChIKey of (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is YDGNDSXQTALTQR-LYFYHCNISA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-2-3-6(8(10)11)7(5)4-9/h5-7H,2-4,9H2,1H3,(H,10,11)/t5-,6-,7+/m0/s1.
What are the key properties of (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid?
(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 95757429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).