(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid

C14H25NO3 — CID 40965426

IUPAC(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)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-TUAOUCFPSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds5

About (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid

(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid (PubChem CID 40965426) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
PubChem CID40965426
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)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-TUAOUCFPSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid (CID 40965426) is (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid?
The InChIKey is HZXHZEICTRNPKQ-TUAOUCFPSA-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-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[(1R,2S)-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-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 40965426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).