2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid

C16H29NO3 — CID 103499115

IUPAC2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29NO3/c1-10(11(2)14(19)20)13(18)17-12-7-15(3,4)9-16(5,6)8-12/h10-12H,7-9H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyPFAVBMJMHAKKIN-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.06
Rot. Bonds4

About 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid

2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid (PubChem CID 103499115) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
PubChem CID103499115
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29NO3/c1-10(11(2)14(19)20)13(18)17-12-7-15(3,4)9-16(5,6)8-12/h10-12H,7-9H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyPFAVBMJMHAKKIN-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid with MolForge

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Related Compounds

(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
CID 120874151
3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 107034259
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]butanoic acid
CID 103968063
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968092
2,3-dimethyl-4-(oxetan-3-ylamino)-4-oxobutanoic acid
CID 103498793
2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
2-carbamothioyl-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103966863

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid (CID 103499115) is 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid is CC(C(=O)O)C(C)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
The InChIKey is PFAVBMJMHAKKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-10(11(2)14(19)20)13(18)17-12-7-15(3,4)9-16(5,6)8-12/h10-12H,7-9H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid is sourced from PubChem (CID 103499115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).