(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid

C14H25NO3 — CID 119244683

IUPAC(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
SMILESCCC(CC1CCCCC1)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-12(9-11-7-5-4-6-8-11)13(16)15-10(2)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t10-,12?/m1/s1
InChIKeyPECJTLFEAFSGCK-RWANSRKNSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid

(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid (PubChem CID 119244683) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
PubChem CID119244683
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
SMILESCCC(CC1CCCCC1)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-12(9-11-7-5-4-6-8-11)13(16)15-10(2)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t10-,12?/m1/s1
InChIKeyPECJTLFEAFSGCK-RWANSRKNSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
2-[[(2S,3R)-3-acetamido-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoic acid
CID 20660241
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125
(2S)-2-[(3-cyclohexyl-2-methylpropyl)amino]propanoic acid
CID 122038991
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578
2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119450514
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid (CID 119244683) is (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid is CCC(CC1CCCCC1)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid?
The InChIKey is PECJTLFEAFSGCK-RWANSRKNSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-12(9-11-7-5-4-6-8-11)13(16)15-10(2)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t10-,12?/m1/s1.
What are the key properties of (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid?
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid is sourced from PubChem (CID 119244683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).