benzamido 2-amino-3,3-dimethylbutanoate

C13H18N2O3 — CID 57023501

IUPACbenzamido 2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)C(N)C(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)10(14)12(17)18-15-11(16)9-7-5-4-6-8-9/h4-8,10H,14H2,1-3H3,(H,15,16)
InChIKeyVIOPFSBLXQWQIB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.25
Rot. Bonds2

About benzamido 2-amino-3,3-dimethylbutanoate

benzamido 2-amino-3,3-dimethylbutanoate (PubChem CID 57023501) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzamido 2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Namebenzamido 2-amino-3,3-dimethylbutanoate
PubChem CID57023501
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzamido 2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)C(N)C(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)10(14)12(17)18-15-11(16)9-7-5-4-6-8-9/h4-8,10H,14H2,1-3H3,(H,15,16)
InChIKeyVIOPFSBLXQWQIB-UHFFFAOYSA-N
XLogP1.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzamido 2-amino-3,3-dimethylbutanoate 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

benzamido 2-methyl-2-phenylpropanoate
CID 174594755
benzamido acetate;ethane
CID 91379738
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
CID 18770587
benzamido 2-chloroacetate
CID 172559577
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-(2-cyanopropan-2-yloxy)benzamide
CID 154461100
benzamido 2-methylbenzoate
CID 5260358
N-(trideuteriomethoxy)benzamide
CID 156666829
methyl 3-amino-2-benzamido-3-methylbutanoate
CID 123291153
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
dibenzamido 2-(1-benzothiophen-2-ylmethyl)-2-methylpropanedioate
CID 90934101

Frequently Asked Questions

What is the IUPAC name of benzamido 2-amino-3,3-dimethylbutanoate?
The IUPAC name of benzamido 2-amino-3,3-dimethylbutanoate (CID 57023501) is benzamido 2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for benzamido 2-amino-3,3-dimethylbutanoate?
The canonical SMILES for benzamido 2-amino-3,3-dimethylbutanoate is CC(C)(C)C(N)C(=O)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido 2-amino-3,3-dimethylbutanoate?
The InChIKey is VIOPFSBLXQWQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)10(14)12(17)18-15-11(16)9-7-5-4-6-8-9/h4-8,10H,14H2,1-3H3,(H,15,16).
What are the key properties of benzamido 2-amino-3,3-dimethylbutanoate?
benzamido 2-amino-3,3-dimethylbutanoate has a molecular weight of 250.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 57023501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).