(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid

C16H29NO3 — CID 107563614

IUPAC(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
SMILESCCCCC1CCC(C(=O)N[C@H](CCC)C(=O)O)CC1
InChIInChI=1S/C16H29NO3/c1-3-5-7-12-8-10-13(11-9-12)15(18)17-14(6-4-2)16(19)20/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)/t12?,13?,14-/m1/s1
InChIKeyDZYVODLFQMQUGZ-JXQTWKCFSA-N
MW283.41 g/mol
LogP3.35
Rot. Bonds8

About (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid

(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid (PubChem CID 107563614) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
PubChem CID107563614
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
SMILESCCCCC1CCC(C(=O)N[C@H](CCC)C(=O)O)CC1
InChIInChI=1S/C16H29NO3/c1-3-5-7-12-8-10-13(11-9-12)15(18)17-14(6-4-2)16(19)20/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)/t12?,13?,14-/m1/s1
InChIKeyDZYVODLFQMQUGZ-JXQTWKCFSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic 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-[(4-butylcyclohexanecarbonyl)amino]-4-ethylsulfanylbutanoic acid
CID 108744479
2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 126843797
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 14233114
(2S)-2-[[4-(4-methylpentyl)cyclohexanecarbonyl]amino]pentanedioic acid
CID 22812711
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
N-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid
CID 22422561
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid (CID 107563614) is (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid is CCCCC1CCC(C(=O)N[C@H](CCC)C(=O)O)CC1.
What is the InChIKey of (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid?
The InChIKey is DZYVODLFQMQUGZ-JXQTWKCFSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-7-12-8-10-13(11-9-12)15(18)17-14(6-4-2)16(19)20/h12-14H,3-11H2,1-2H3,(H,17,18)(H,19,20)/t12?,13?,14-/m1/s1.
What are the key properties of (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid?
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 107563614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).