(2S)-2-(cyclohexylamino)propanoic acid

C9H17NO2 — CID 12003067

IUPAC(2S)-2-(cyclohexylamino)propanoic acid
SMILESC[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyBVAUMRCGVHUWOZ-ZETCQYMHSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds3

About (2S)-2-(cyclohexylamino)propanoic acid

(2S)-2-(cyclohexylamino)propanoic acid (PubChem CID 12003067) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)propanoic acid
PubChem CID12003067
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-(cyclohexylamino)propanoic acid
SMILESC[C@H](NC1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyBVAUMRCGVHUWOZ-ZETCQYMHSA-N
XLogP1.38
TPSA49.33 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)propanoic acid?
The IUPAC name of (2S)-2-(cyclohexylamino)propanoic acid (CID 12003067) is (2S)-2-(cyclohexylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(cyclohexylamino)propanoic acid?
The canonical SMILES for (2S)-2-(cyclohexylamino)propanoic acid is C[C@H](NC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclohexylamino)propanoic acid?
The InChIKey is BVAUMRCGVHUWOZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)propanoic acid?
(2S)-2-(cyclohexylamino)propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)propanoic acid is sourced from PubChem (CID 12003067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).