(E)-4-(methoxyamino)but-2-enoic acid

C5H9NO3 — CID 103254307

IUPAC(E)-4-(methoxyamino)but-2-enoic acid
SMILESCONC/C=C/C(=O)O
InChIInChI=1S/C5H9NO3/c1-9-6-4-2-3-5(7)8/h2-3,6H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyQMFCXSRQIFICQW-NSCUHMNNSA-N
MW131.13 g/mol
LogP-0.22
Rot. Bonds4

About (E)-4-(methoxyamino)but-2-enoic acid

(E)-4-(methoxyamino)but-2-enoic acid (PubChem CID 103254307) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (E)-4-(methoxyamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(methoxyamino)but-2-enoic acid
PubChem CID103254307
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(E)-4-(methoxyamino)but-2-enoic acid
SMILESCONC/C=C/C(=O)O
InChIInChI=1S/C5H9NO3/c1-9-6-4-2-3-5(7)8/h2-3,6H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyQMFCXSRQIFICQW-NSCUHMNNSA-N
XLogP-0.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Aminoisocrotonic acid
CID 6603697
4-Aminocrotonic acid
CID 5310987
(2E)-4-aminobut-2-enoic acid hydrochloride
CID 86767669
(2E,4E)-6-Aminohexa-2,4-dienoic acid
CID 55284573
4-Amino-2-butenoic acid
CID 2766
6-Aminohexa-2,4-dienoic acid
CID 54217253
(E)-4-(Methylamino)but-2-enoic acid
CID 22466739
4-Aminocrotonic acid hydrobromide
CID 129654876
(E)-4-(2,2,2-trifluoroethoxyamino)but-2-enoic acid
CID 103261632
(Z)-4-(ethylaminooxy)-4-oxobut-2-enoic acid
CID 13431629
(E)-but-2-enedioic acid;ethanamine
CID 19036486
(E)-but-2-enedioic acid;prop-2-en-1-amine
CID 21623523

Frequently Asked Questions

What is the IUPAC name of (E)-4-(methoxyamino)but-2-enoic acid?
The IUPAC name of (E)-4-(methoxyamino)but-2-enoic acid (CID 103254307) is (E)-4-(methoxyamino)but-2-enoic acid.
What is the SMILES notation for (E)-4-(methoxyamino)but-2-enoic acid?
The canonical SMILES for (E)-4-(methoxyamino)but-2-enoic acid is CONC/C=C/C(=O)O.
What is the InChIKey of (E)-4-(methoxyamino)but-2-enoic acid?
The InChIKey is QMFCXSRQIFICQW-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NO3/c1-9-6-4-2-3-5(7)8/h2-3,6H,4H2,1H3,(H,7,8)/b3-2+.
What are the key properties of (E)-4-(methoxyamino)but-2-enoic acid?
(E)-4-(methoxyamino)but-2-enoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methoxyamino)but-2-enoic acid is sourced from PubChem (CID 103254307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).