(E)-2-(carboxyamino)but-2-enoic acid

C5H7NO4 — CID 18935969

IUPAC(E)-2-(carboxyamino)but-2-enoic acid
SMILESC/C=C(/NC(=O)O)C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10/h2,6H,1H3,(H,7,8)(H,9,10)/b3-2+
InChIKeyMZCCEXCZTLLQLK-NSCUHMNNSA-N
MW145.11 g/mol
LogP0.24
Rot. Bonds2

About (E)-2-(carboxyamino)but-2-enoic acid

(E)-2-(carboxyamino)but-2-enoic acid (PubChem CID 18935969) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (E)-2-(carboxyamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(carboxyamino)but-2-enoic acid
PubChem CID18935969
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(E)-2-(carboxyamino)but-2-enoic acid
SMILESC/C=C(/NC(=O)O)C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10/h2,6H,1H3,(H,7,8)(H,9,10)/b3-2+
InChIKeyMZCCEXCZTLLQLK-NSCUHMNNSA-N
XLogP0.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.24
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

2-(heptanoylamino)but-2-enoic acid
CID 54363986
(E)-2-[(2-cyclopropylacetyl)amino]but-2-enoic acid
CID 19878154
(E)-2-benzamidobut-2-enoic acid
CID 15472529
(E)-2-[(2-tert-butylcyclopropanecarbonyl)amino]but-2-enoic acid
CID 19878194
(E)-2-[(2-methylcyclohexanecarbonyl)amino]but-2-enoic acid
CID 19878133
methyl 2-(octadecanoylamino)prop-2-enoate;2-(octadecanoylamino)but-2-enoic acid
CID 158645192
2-(decanoylamino)but-2-enoic acid;methyl 2-(decanoylamino)prop-2-enoate
CID 162067826
(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid
CID 24974135
(Z)-2-(2,3,6-trimethylanilino)but-2-enoic acid
CID 177022079
4-chloro-2-(methoxyamino)but-2-enoic acid
CID 90898516
(E)-5-methoxy-2-(methoxycarbonylamino)-5-oxopent-2-enoic acid
CID 177497317
[(2E,4Z,5E)-4-(2-methylprop-2-enylidene)-5-[(Z)-prop-1-enyl]octa-2,5-dien-3-yl]carbamic acid
CID 129050133

Frequently Asked Questions

What is the IUPAC name of (E)-2-(carboxyamino)but-2-enoic acid?
The IUPAC name of (E)-2-(carboxyamino)but-2-enoic acid (CID 18935969) is (E)-2-(carboxyamino)but-2-enoic acid.
What is the SMILES notation for (E)-2-(carboxyamino)but-2-enoic acid?
The canonical SMILES for (E)-2-(carboxyamino)but-2-enoic acid is C/C=C(/NC(=O)O)C(=O)O.
What is the InChIKey of (E)-2-(carboxyamino)but-2-enoic acid?
The InChIKey is MZCCEXCZTLLQLK-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10/h2,6H,1H3,(H,7,8)(H,9,10)/b3-2+.
What are the key properties of (E)-2-(carboxyamino)but-2-enoic acid?
(E)-2-(carboxyamino)but-2-enoic acid has a molecular weight of 145.11 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(carboxyamino)but-2-enoic acid is sourced from PubChem (CID 18935969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).