2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid

C14H25NO3 — CID 106826432

IUPAC2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)C1(C)CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-11(12(16)17)7-6-10-15-13(18)14(2)8-4-3-5-9-14/h11H,3-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLEWMVDMIJMBCBC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid

2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid (PubChem CID 106826432) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
PubChem CID106826432
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)C1(C)CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-11(12(16)17)7-6-10-15-13(18)14(2)8-4-3-5-9-14/h11H,3-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLEWMVDMIJMBCBC-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686817
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
2-methyl-5-(methylamino)pentanoic acid
CID 59942755

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid (CID 106826432) is 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid is CC(CCCNC(=O)C1(C)CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid?
The InChIKey is LEWMVDMIJMBCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(12(16)17)7-6-10-15-13(18)14(2)8-4-3-5-9-14/h11H,3-10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid?
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 106826432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).