2-[(1S,2R)-2-aminocyclohexyl]propanoic acid

C9H17NO2 — CID 130898751

IUPAC2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
SMILESCC(C(=O)O)[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17NO2/c1-6(9(11)12)7-4-2-3-5-8(7)10/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7-,8+/m0/s1
InChIKeyINJBYYQPZBBUSQ-ZHFSPANRSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds2

About 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid

2-[(1S,2R)-2-aminocyclohexyl]propanoic acid (PubChem CID 130898751) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid.

Molecular Properties

Compound Name2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
PubChem CID130898751
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
SMILESCC(C(=O)O)[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17NO2/c1-6(9(11)12)7-4-2-3-5-8(7)10/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7-,8+/m0/s1
InChIKeyINJBYYQPZBBUSQ-ZHFSPANRSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
CID 19848344
1-(2-aminocyclononyl)ethanol
CID 123398875
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
acetic acid;cyclohexane-1,2-diamine
CID 67321744
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
2-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 16727057
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid?
The IUPAC name of 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid (CID 130898751) is 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid.
What is the SMILES notation for 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid?
The canonical SMILES for 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid is CC(C(=O)O)[C@@H]1CCCC[C@H]1N.
What is the InChIKey of 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid?
The InChIKey is INJBYYQPZBBUSQ-ZHFSPANRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(9(11)12)7-4-2-3-5-8(7)10/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7-,8+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid?
2-[(1S,2R)-2-aminocyclohexyl]propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-aminocyclohexyl]propanoic acid is sourced from PubChem (CID 130898751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).