4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid

C15H26N2O4 — CID 43092294

IUPAC4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
SMILESCC(C)(C)C1CCC(C(=O)NC(CC(N)=O)C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)10-6-4-9(5-7-10)13(19)17-11(14(20)21)8-12(16)18/h9-11H,4-8H2,1-3H3,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyGBZPVAZYXRPOBH-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.28
Rot. Bonds5

About 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid (PubChem CID 43092294) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
PubChem CID43092294
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
SMILESCC(C)(C)C1CCC(C(=O)NC(CC(N)=O)C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)10-6-4-9(5-7-10)13(19)17-11(14(20)21)8-12(16)18/h9-11H,4-8H2,1-3H3,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyGBZPVAZYXRPOBH-UHFFFAOYSA-N
XLogP1.28
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
CID 110837241
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718554
(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 114226244
(2S)-2-(cyclopropanecarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841055
N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948332
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
4-amino-2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 114226143
N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 63755182
4-amino-2-(oxane-3-carbonylamino)-4-oxobutanoic acid
CID 55110091

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid (CID 43092294) is 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid is CC(C)(C)C1CCC(C(=O)NC(CC(N)=O)C(=O)O)CC1.
What is the InChIKey of 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid?
The InChIKey is GBZPVAZYXRPOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)10-6-4-9(5-7-10)13(19)17-11(14(20)21)8-12(16)18/h9-11H,4-8H2,1-3H3,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43092294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).