2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide

C13H16N2O5 — CID 159607407

IUPAC2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide
SMILESC=CCNC(=O)c1ccccc1C(N)=O.O=C(O)CO
InChIInChI=1S/C11H12N2O2.C2H4O3/c1-2-7-13-11(15)9-6-4-3-5-8(9)10(12)14;3-1-2(4)5/h2-6H,1,7H2,(H2,12,14)(H,13,15);3H,1H2,(H,4,5)
InChIKeyMMGHGWGBGKXWBQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.24
Rot. Bonds5

About 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide

2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide (PubChem CID 159607407) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide
PubChem CID159607407
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide
SMILESC=CCNC(=O)c1ccccc1C(N)=O.O=C(O)CO
InChIInChI=1S/C11H12N2O2.C2H4O3/c1-2-7-13-11(15)9-6-4-3-5-8(9)10(12)14;3-1-2(4)5/h2-6H,1,7H2,(H2,12,14)(H,13,15);3H,1H2,(H,4,5)
InChIKeyMMGHGWGBGKXWBQ-UHFFFAOYSA-N
XLogP-0.24
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide
CID 68860620
4-[4-carbamoyl-3-(prop-2-enylcarbamoyl)benzenecarboximidoyl]-2-N-prop-2-enylbenzene-1,2-dicarboxamide
CID 88514136
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
2-N-(sulfanylmethyl)benzene-1,2-dicarboxamide
CID 21410227
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
2-methylsulfonyl-N-prop-2-enylbenzamide
CID 31301978

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide?
The IUPAC name of 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide (CID 159607407) is 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide?
The canonical SMILES for 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide is C=CCNC(=O)c1ccccc1C(N)=O.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide?
The InChIKey is MMGHGWGBGKXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C2H4O3/c1-2-7-13-11(15)9-6-4-3-5-8(9)10(12)14;3-1-2(4)5/h2-6H,1,7H2,(H2,12,14)(H,13,15);3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide?
2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide has a molecular weight of 280.28 g/mol, XLogP of -0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 159607407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).