3-amino-3-benzamido-2,2-dimethylbutanoic acid

C13H18N2O3 — CID 70321321

IUPAC3-amino-3-benzamido-2,2-dimethylbutanoic acid
SMILESCC(N)(NC(=O)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-12(2,11(17)18)13(3,14)15-10(16)9-7-5-4-6-8-9/h4-8H,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyFAMMVEOIBIGYLE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.20
Rot. Bonds4

About 3-amino-3-benzamido-2,2-dimethylbutanoic acid

3-amino-3-benzamido-2,2-dimethylbutanoic acid (PubChem CID 70321321) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-3-benzamido-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3-amino-3-benzamido-2,2-dimethylbutanoic acid
PubChem CID70321321
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-amino-3-benzamido-2,2-dimethylbutanoic acid
SMILESCC(N)(NC(=O)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-12(2,11(17)18)13(3,14)15-10(16)9-7-5-4-6-8-9/h4-8H,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyFAMMVEOIBIGYLE-UHFFFAOYSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
(1-benzamido-1-carboxyethyl)-triphenylphosphanium
CID 24827846
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid
CID 65261439
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid
CID 67625422
N-(3,3-dimethyl-2-oxobutanoyl)benzamide
CID 132515762

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-benzamido-2,2-dimethylbutanoic acid?
The IUPAC name of 3-amino-3-benzamido-2,2-dimethylbutanoic acid (CID 70321321) is 3-amino-3-benzamido-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3-amino-3-benzamido-2,2-dimethylbutanoic acid?
The canonical SMILES for 3-amino-3-benzamido-2,2-dimethylbutanoic acid is CC(N)(NC(=O)c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 3-amino-3-benzamido-2,2-dimethylbutanoic acid?
The InChIKey is FAMMVEOIBIGYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-12(2,11(17)18)13(3,14)15-10(16)9-7-5-4-6-8-9/h4-8H,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-amino-3-benzamido-2,2-dimethylbutanoic acid?
3-amino-3-benzamido-2,2-dimethylbutanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-benzamido-2,2-dimethylbutanoic acid is sourced from PubChem (CID 70321321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).