(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid

C17H31NO3 — CID 78975872

IUPAC(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C17H31NO3/c1-11(2)10-14(16(20)21)18-15(19)12-6-8-13(9-7-12)17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,19)(H,20,21)/t12?,13?,14-/m1/s1
InChIKeySDXWAPKARDKPTC-JXQTWKCFSA-N
MW297.44 g/mol
LogP3.45
Rot. Bonds5

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

(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 78975872) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID78975872
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C17H31NO3/c1-11(2)10-14(16(20)21)18-15(19)12-6-8-13(9-7-12)17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,19)(H,20,21)/t12?,13?,14-/m1/s1
InChIKeySDXWAPKARDKPTC-JXQTWKCFSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-tert-butylcyclohexanecarbonyl)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-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62083485
2-[(4-heptylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 126843797
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
(2S)-2-[[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119361412

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid (CID 78975872) is (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is SDXWAPKARDKPTC-JXQTWKCFSA-N. The full InChI is InChI=1S/C17H31NO3/c1-11(2)10-14(16(20)21)18-15(19)12-6-8-13(9-7-12)17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,19)(H,20,21)/t12?,13?,14-/m1/s1.
What are the key properties of (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 297.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 78975872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).