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

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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).