3-Acetamidoprop-2-enoic acid

C5H7NO3 — CID 246752

IUPAC3-acetamidoprop-2-enoic acid
SMILESCC(=O)NC=CC(=O)O
InChIInChI=1S/C5H7NO3/c1-4(7)6-3-2-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyMWVBVDJUFFMLAR-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.20
Rot. Bonds2

About 3-Acetamidoprop-2-enoic acid

3-Acetamidoprop-2-enoic acid (PubChem CID 246752) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-acetamidoprop-2-enoic acid.

Molecular Properties

Compound Name3-Acetamidoprop-2-enoic acid
PubChem CID246752
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-acetamidoprop-2-enoic acid
SMILESCC(=O)NC=CC(=O)O
InChIInChI=1S/C5H7NO3/c1-4(7)6-3-2-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyMWVBVDJUFFMLAR-UHFFFAOYSA-N
XLogP-0.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity150

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 170852351
CID 170852351
(E)-3-(methylamino)prop-2-enoic acid
CID 10192559
3-(Prop-2-enoylamino)prop-2-enoic acid
CID 53958477
2-Methyl-3-(prop-2-enoylamino)prop-2-enoic acid
CID 54284012
N-ethenylacetamide;prop-2-enoic acid
CID 87974681
N-ethenylformamide;prop-2-enoic acid
CID 129031284
Ureidoacrylic acid
CID 1751484
3-[(2,2,2-Trifluoroacetyl)amino]prop-2-enoic acid
CID 88099271
(2Z,4E)-5-acetamidopenta-2,4-dienoic acid
CID 101397621
(Z)-3-(butanoylamino)prop-2-enoic acid
CID 131244415
(E)-3-(2-fluoroethylamino)prop-2-enoic acid
CID 130504682
(E)-3-ureidoacrylic acid
CID 1751482

Frequently Asked Questions

What is the IUPAC name of 3-Acetamidoprop-2-enoic acid?
The IUPAC name of 3-Acetamidoprop-2-enoic acid (CID 246752) is 3-acetamidoprop-2-enoic acid.
What is the SMILES notation for 3-Acetamidoprop-2-enoic acid?
The canonical SMILES for 3-Acetamidoprop-2-enoic acid is CC(=O)NC=CC(=O)O.
What is the InChIKey of 3-Acetamidoprop-2-enoic acid?
The InChIKey is MWVBVDJUFFMLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(7)6-3-2-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9).
What are the key properties of 3-Acetamidoprop-2-enoic acid?
3-Acetamidoprop-2-enoic acid has a molecular weight of 129.11 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Acetamidoprop-2-enoic acid is sourced from PubChem (CID 246752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).