2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid

C15H28N2O3 — CID 115441849

IUPAC2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1(CN)CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-14(3,13(19)20)17-12(18)15(10-16)8-5-11(2)6-9-15/h11H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyVJZOBVQEKRMKDP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds6

About 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid

2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid (PubChem CID 115441849) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid
PubChem CID115441849
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1(CN)CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-14(3,13(19)20)17-12(18)15(10-16)8-5-11(2)6-9-15/h11H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyVJZOBVQEKRMKDP-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid (CID 115441849) is 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C1(CN)CCC(C)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid?
The InChIKey is VJZOBVQEKRMKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-14(3,13(19)20)17-12(18)15(10-16)8-5-11(2)6-9-15/h11H,4-10,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid?
2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 115441849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).