2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid

C15H28N2O3 — CID 107475563

IUPAC2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)C1(N)CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-14(2,3)9-11(12(18)19)10-17-13(20)15(16)7-5-4-6-8-15/h11H,4-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKOBYFAANEBSYRN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.90
Rot. Bonds5

About 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid

2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107475563) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107475563
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)C1(N)CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-14(2,3)9-11(12(18)19)10-17-13(20)15(16)7-5-4-6-8-15/h11H,4-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKOBYFAANEBSYRN-UHFFFAOYSA-N
XLogP1.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
4,4-dimethyl-2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 107474278
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475549
1-amino-N-(2-methoxy-3,3-dimethylbutyl)cyclohexane-1-carboxamide
CID 119341486
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 82688208
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid (CID 107475563) is 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)C1(N)CCCCC1)C(=O)O.
What is the InChIKey of 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is KOBYFAANEBSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)9-11(12(18)19)10-17-13(20)15(16)7-5-4-6-8-15/h11H,4-10,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107475563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).