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

C11H19NO3 — CID 54153509

IUPAC(2S)-2-acetamido-3-cyclohexylpropanoic acid
SMILESCC(=O)N[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyOJKBSULSXRPKEH-JTQLQIEISA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

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

(2S)-2-acetamido-3-cyclohexylpropanoic acid (PubChem CID 54153509) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-acetamido-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-3-cyclohexylpropanoic acid
PubChem CID54153509
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-2-acetamido-3-cyclohexylpropanoic acid
SMILESCC(=O)N[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyOJKBSULSXRPKEH-JTQLQIEISA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-cyclohexylpropanoic acid?
The IUPAC name of (2S)-2-acetamido-3-cyclohexylpropanoic acid (CID 54153509) is (2S)-2-acetamido-3-cyclohexylpropanoic acid.
What is the SMILES notation for (2S)-2-acetamido-3-cyclohexylpropanoic acid?
The canonical SMILES for (2S)-2-acetamido-3-cyclohexylpropanoic acid is CC(=O)N[C@@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-3-cyclohexylpropanoic acid?
The InChIKey is OJKBSULSXRPKEH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-cyclohexylpropanoic acid?
(2S)-2-acetamido-3-cyclohexylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-cyclohexylpropanoic acid is sourced from PubChem (CID 54153509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).