3-(carboxyamino)prop-2-enoic acid

C4H5NO4 — CID 71398127

IUPAC3-(carboxyamino)prop-2-enoic acid
SMILESO=C(O)C=CNC(=O)O
InChIInChI=1S/C4H5NO4/c6-3(7)1-2-5-4(8)9/h1-2,5H,(H,6,7)(H,8,9)
InChIKeyILTLVBZTBZMGKN-UHFFFAOYSA-N
MW131.09 g/mol
LogP-0.15
Rot. Bonds2

About 3-(carboxyamino)prop-2-enoic acid

3-(carboxyamino)prop-2-enoic acid (PubChem CID 71398127) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is 3-(carboxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name3-(carboxyamino)prop-2-enoic acid
PubChem CID71398127
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name3-(carboxyamino)prop-2-enoic acid
SMILESO=C(O)C=CNC(=O)O
InChIInChI=1S/C4H5NO4/c6-3(7)1-2-5-4(8)9/h1-2,5H,(H,6,7)(H,8,9)
InChIKeyILTLVBZTBZMGKN-UHFFFAOYSA-N
XLogP-0.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioic acid;iron
CID 5478817
2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid
CID 88514689
(E)-3-[(C-butyl-N-methylcarbonimidoyl)amino]prop-2-enoic acid
CID 142948012
3-(ethenylamino)prop-2-enoic acid
CID 87774875
3-(cyclobutene-1-carbonylamino)prop-2-enoic acid
CID 118128369
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;gold
CID 174837134
but-2-enedioic acid;dihydrate
CID 76541248
azane;bis((E)-but-2-enedioic acid)
CID 87996706
(Z)-but-2-enedioic acid;manganese
CID 87121555
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563

Frequently Asked Questions

What is the IUPAC name of 3-(carboxyamino)prop-2-enoic acid?
The IUPAC name of 3-(carboxyamino)prop-2-enoic acid (CID 71398127) is 3-(carboxyamino)prop-2-enoic acid.
What is the SMILES notation for 3-(carboxyamino)prop-2-enoic acid?
The canonical SMILES for 3-(carboxyamino)prop-2-enoic acid is O=C(O)C=CNC(=O)O.
What is the InChIKey of 3-(carboxyamino)prop-2-enoic acid?
The InChIKey is ILTLVBZTBZMGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4/c6-3(7)1-2-5-4(8)9/h1-2,5H,(H,6,7)(H,8,9).
What are the key properties of 3-(carboxyamino)prop-2-enoic acid?
3-(carboxyamino)prop-2-enoic acid has a molecular weight of 131.09 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxyamino)prop-2-enoic acid is sourced from PubChem (CID 71398127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).