4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid

C13H24N2O3 — CID 79878132

IUPAC4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
SMILESCC1(C)CCCCC1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2)8-4-3-5-10(13)15-12(18)9(14)6-7-11(16)17/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMMOZXWARRCQXPU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds5

About 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid

4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid (PubChem CID 79878132) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
PubChem CID79878132
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
SMILESCC1(C)CCCCC1NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2)8-4-3-5-10(13)15-12(18)9(14)6-7-11(16)17/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMMOZXWARRCQXPU-UHFFFAOYSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-dimethylcyclohexyl)pentanamide
CID 79877969
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
4-amino-5-oxo-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanoic acid
CID 64896788
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
CID 64895983
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide
CID 131177062
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
4-amino-5-[(2,2-dimethyloxan-4-yl)amino]-5-oxopentanoic acid
CID 83032758

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid (CID 79878132) is 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid is CC1(C)CCCCC1NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid?
The InChIKey is MMOZXWARRCQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2)8-4-3-5-10(13)15-12(18)9(14)6-7-11(16)17/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid?
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 79878132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).