(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid

C16H27NO3 — CID 119363265

IUPAC(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C16H27NO3/c1-10(2)8-14(16(19)20)17-15(18)13-9-12(13)11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3,(H,17,18)(H,19,20)/t12?,13?,14-/m1/s1
InChIKeyYRADEOMQDXZVFC-JXQTWKCFSA-N
MW281.40 g/mol
LogP2.82
Rot. Bonds6

About (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 119363265) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID119363265
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C16H27NO3/c1-10(2)8-14(16(19)20)17-15(18)13-9-12(13)11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3,(H,17,18)(H,19,20)/t12?,13?,14-/m1/s1
InChIKeyYRADEOMQDXZVFC-JXQTWKCFSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
CID 119223837
(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid
CID 120692482
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
CID 40965426
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955
2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119170208
(2S)-2-(bicyclo[3.1.0]hexane-6-carbonylamino)-4-methylpentanoic acid
CID 81451503
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-methylpentanoic acid
CID 102892098
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid (CID 119363265) is (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C1CC1C1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is YRADEOMQDXZVFC-JXQTWKCFSA-N. The full InChI is InChI=1S/C16H27NO3/c1-10(2)8-14(16(19)20)17-15(18)13-9-12(13)11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3,(H,17,18)(H,19,20)/t12?,13?,14-/m1/s1.
What are the key properties of (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 281.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).