(Z)-3-acetamidoprop-2-enoic acid

C5H7NO3 — CID 5356531

IUPAC(Z)-3-acetamidoprop-2-enoic acid
SMILESCC(=O)N/C=C\C(=O)O
InChIInChI=1S/C5H7NO3/c1-4(7)6-3-2-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKeyMWVBVDJUFFMLAR-IHWYPQMZSA-N
MW129.11 g/mol
LogP-0.28
Rot. Bonds2

About (Z)-3-acetamidoprop-2-enoic acid

(Z)-3-acetamidoprop-2-enoic acid (PubChem CID 5356531) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (Z)-3-acetamidoprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-acetamidoprop-2-enoic acid
PubChem CID5356531
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(Z)-3-acetamidoprop-2-enoic acid
SMILESCC(=O)N/C=C\C(=O)O
InChIInChI=1S/C5H7NO3/c1-4(7)6-3-2-5(8)9/h2-3H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKeyMWVBVDJUFFMLAR-IHWYPQMZSA-N
XLogP-0.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.28
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

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
3-Acetamidoprop-2-enoic acid
CID 246752

Frequently Asked Questions

What is the IUPAC name of (Z)-3-acetamidoprop-2-enoic acid?
The IUPAC name of (Z)-3-acetamidoprop-2-enoic acid (CID 5356531) is (Z)-3-acetamidoprop-2-enoic acid.
What is the SMILES notation for (Z)-3-acetamidoprop-2-enoic acid?
The canonical SMILES for (Z)-3-acetamidoprop-2-enoic acid is CC(=O)N/C=C\C(=O)O.
What is the InChIKey of (Z)-3-acetamidoprop-2-enoic acid?
The InChIKey is MWVBVDJUFFMLAR-IHWYPQMZSA-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)/b3-2-.
What are the key properties of (Z)-3-acetamidoprop-2-enoic acid?
(Z)-3-acetamidoprop-2-enoic acid has a molecular weight of 129.11 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-acetamidoprop-2-enoic acid is sourced from PubChem (CID 5356531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).