2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid

C11H12N2O3 — CID 5021630

IUPAC2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
SMILESNCC(=O)NC(=Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14)(H,15,16)
InChIKeyPRVHUDHZTISSOD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.19
Rot. Bonds4

About 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid

2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid (PubChem CID 5021630) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
PubChem CID5021630
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
SMILESNCC(=O)NC(=Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14)(H,15,16)
InChIKeyPRVHUDHZTISSOD-UHFFFAOYSA-N
XLogP0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid (CID 5021630) is 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid is NCC(=O)NC(=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
The InChIKey is PRVHUDHZTISSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid is sourced from PubChem (CID 5021630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).