(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid

C14H25NO3 — CID 10538955

IUPAC(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCCCC1C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-9(2)8-12(14(17)18)15-13(16)11-7-5-4-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)/t10?,11?,12-/m0/s1
InChIKeyHZXHZEICTRNPKQ-MCIGGMRASA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds5

About (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid (PubChem CID 10538955) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
PubChem CID10538955
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCCCC1C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-9(2)8-12(14(17)18)15-13(16)11-7-5-4-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)/t10?,11?,12-/m0/s1
InChIKeyHZXHZEICTRNPKQ-MCIGGMRASA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
CID 40965426
3-fluoro-2-[(2-methylcyclohexanecarbonyl)amino]propanoic acid
CID 122129414
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 107175319
(2S)-2-(bicyclo[3.1.0]hexane-6-carbonylamino)-4-methylpentanoic acid
CID 81451503
N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide
CID 107180769
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid (CID 10538955) is (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)C1CCCCC1C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid?
The InChIKey is HZXHZEICTRNPKQ-MCIGGMRASA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)8-12(14(17)18)15-13(16)11-7-5-4-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 10538955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).