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

C11H12N2O3 — CID 6390927

IUPAC(E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
SMILESNCC(=O)N/C(=C/c1ccccc1)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)/b9-6+
InChIKeyPRVHUDHZTISSOD-RMKNXTFCSA-N
MW220.23 g/mol
LogP0.19
Rot. Bonds4

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

(E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid (PubChem CID 6390927) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
PubChem CID6390927
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
SMILESNCC(=O)N/C(=C/c1ccccc1)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)/b9-6+
InChIKeyPRVHUDHZTISSOD-RMKNXTFCSA-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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Related Compounds

(Z)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
CID 6249815
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
(Z)-2-benzamido-3-(4-boronophenyl)prop-2-enoic acid
CID 10913942
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
(Z)-3-phenyl-2-sulfanylprop-2-enoic acid
CID 5396334
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
benzyl N-[(E)-3-oxo-1-phenylbut-1-en-2-yl]carbamate
CID 24978272
(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 22148195
3-[4-(2-bromophenoxy)phenyl]-2-[(2-phenylsulfanylacetyl)amino]prop-2-enoic acid
CID 76843388

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
The IUPAC name of (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid (CID 6390927) is (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
The canonical SMILES for (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid is NCC(=O)N/C(=C/c1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
The InChIKey is PRVHUDHZTISSOD-RMKNXTFCSA-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)/b9-6+.
What are the key properties of (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid?
(E)-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 (E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid is sourced from PubChem (CID 6390927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).