2-(acetamidomethyl)prop-2-enoic acid

C6H9NO3 — CID 18513114

IUPAC2-(acetamidomethyl)prop-2-enoic acid
SMILESC=C(CNC(C)=O)C(=O)O
InChIInChI=1S/C6H9NO3/c1-4(6(9)10)3-7-5(2)8/h1,3H2,2H3,(H,7,8)(H,9,10)
InChIKeyFEYZSSIBGAKZQC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.24
Rot. Bonds3

About 2-(acetamidomethyl)prop-2-enoic acid

2-(acetamidomethyl)prop-2-enoic acid (PubChem CID 18513114) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(acetamidomethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(acetamidomethyl)prop-2-enoic acid
PubChem CID18513114
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(acetamidomethyl)prop-2-enoic acid
SMILESC=C(CNC(C)=O)C(=O)O
InChIInChI=1S/C6H9NO3/c1-4(6(9)10)3-7-5(2)8/h1,3H2,2H3,(H,7,8)(H,9,10)
InChIKeyFEYZSSIBGAKZQC-UHFFFAOYSA-N
XLogP-0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

beta-Ureidoisobutenoic acid
CID 54388195
N-acryloyl-beta-alanine
CID 324231
2-Carboxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 12851418
N-methacryloyl-beta-alanine
CID 22483843
2-Carboxy-N-isopropylacrylamide
CID 53784208
Methyl 2-(acetamidomethyl)acrylate
CID 57337996
2-Oxo-2,5-dihydro-1h-pyrrole-4-carboxylic acid
CID 67744591
2-(1-Fluoroprop-2-enylcarbamoyl)prop-2-enoic acid
CID 88636968
2-[[(2,2,2-Trifluoroacetyl)amino]methyl]prop-2-enoic acid
CID 154397954
2-(3-Fluoroprop-2-enylcarbamoyl)prop-2-enoic acid
CID 173399270
2-Carboxyprop-2-enyl(dimethyl)azanium
CID 134854492
2-(Ethylaminomethyl)prop-2-enoic acid
CID 17787601

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)prop-2-enoic acid?
The IUPAC name of 2-(acetamidomethyl)prop-2-enoic acid (CID 18513114) is 2-(acetamidomethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(acetamidomethyl)prop-2-enoic acid?
The canonical SMILES for 2-(acetamidomethyl)prop-2-enoic acid is C=C(CNC(C)=O)C(=O)O.
What is the InChIKey of 2-(acetamidomethyl)prop-2-enoic acid?
The InChIKey is FEYZSSIBGAKZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(6(9)10)3-7-5(2)8/h1,3H2,2H3,(H,7,8)(H,9,10).
What are the key properties of 2-(acetamidomethyl)prop-2-enoic acid?
2-(acetamidomethyl)prop-2-enoic acid has a molecular weight of 143.14 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)prop-2-enoic acid is sourced from PubChem (CID 18513114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).