2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid

C18H19N3O4 — CID 69264462

IUPAC2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid
SMILESNC(NC(=O)CCc1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H19N3O4/c19-16(18(24)25)21-15(22)11-8-12-6-9-14(10-7-12)20-17(23)13-4-2-1-3-5-13/h1-7,9-10,16H,8,11,19H2,(H,20,23)(H,21,22)(H,24,25)
InChIKeySIXAUCZCKFYTFY-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.36
Rot. Bonds7

About 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid

2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid (PubChem CID 69264462) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid
PubChem CID69264462
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid
SMILESNC(NC(=O)CCc1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H19N3O4/c19-16(18(24)25)21-15(22)11-8-12-6-9-14(10-7-12)20-17(23)13-4-2-1-3-5-13/h1-7,9-10,16H,8,11,19H2,(H,20,23)(H,21,22)(H,24,25)
InChIKeySIXAUCZCKFYTFY-UHFFFAOYSA-N
XLogP1.36
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
CID 22634902
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
CID 23593002
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
CID 123843128
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid?
The IUPAC name of 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid (CID 69264462) is 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid?
The canonical SMILES for 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid is NC(NC(=O)CCc1ccc(NC(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid?
The InChIKey is SIXAUCZCKFYTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c19-16(18(24)25)21-15(22)11-8-12-6-9-14(10-7-12)20-17(23)13-4-2-1-3-5-13/h1-7,9-10,16H,8,11,19H2,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid?
2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid has a molecular weight of 341.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid is sourced from PubChem (CID 69264462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).