(2S)-2-amino-3-cyclohexylpropanoic acid

C9H17NO2 — CID 712421

IUPAC(2S)-2-amino-3-cyclohexylpropanoic acid
SMILESN[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyORQXBVXKBGUSBA-QMMMGPOBSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds3

About (2S)-2-amino-3-cyclohexylpropanoic acid

(2S)-2-amino-3-cyclohexylpropanoic acid (PubChem CID 712421) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexylpropanoic acid
PubChem CID712421
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-amino-3-cyclohexylpropanoic acid
SMILESN[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyORQXBVXKBGUSBA-QMMMGPOBSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-cyclohexylpropanoic acid (CID 712421) is (2S)-2-amino-3-cyclohexylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-cyclohexylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-cyclohexylpropanoic acid is N[C@@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-cyclohexylpropanoic acid?
The InChIKey is ORQXBVXKBGUSBA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexylpropanoic acid?
(2S)-2-amino-3-cyclohexylpropanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexylpropanoic acid is sourced from PubChem (CID 712421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).