4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid

C16H25NO3 — CID 65297911

IUPAC4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C16H25NO3/c1-15(2,14(19)20)9-13(18)17-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOEYQGGAIUDXDBF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.57
Rot. Bonds4

About 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid

4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65297911) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65297911
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C16H25NO3/c1-15(2,14(19)20)9-13(18)17-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOEYQGGAIUDXDBF-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)hexanamide
CID 4687392
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
[2-(1-adamantylamino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8795996
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950815
N-(1-adamantyl)-3,3-dimethyl-5-(3-methylpiperidin-1-yl)-5-oxopentanamide
CID 69169794
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
tert-butyl N-[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84557446
(3S)-N-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 95203632
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 65297911) is 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is OEYQGGAIUDXDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-15(2,14(19)20)9-13(18)17-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,3-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65297911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).