(E)-3-(methylamino)prop-2-enoic acid

C4H7NO2 — CID 10192559

IUPAC(E)-3-(methylamino)prop-2-enoic acid
SMILESCN/C=C/C(=O)O
InChIInChI=1S/C4H7NO2/c1-5-3-2-4(6)7/h2-3,5H,1H3,(H,6,7)/b3-2+
InChIKeyBSIFHEUIVGOUJY-NSCUHMNNSA-N
MW101.10 g/mol
LogP-0.20
Rot. Bonds2

About (E)-3-(methylamino)prop-2-enoic acid

(E)-3-(methylamino)prop-2-enoic acid (PubChem CID 10192559) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (E)-3-(methylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(methylamino)prop-2-enoic acid
PubChem CID10192559
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(E)-3-(methylamino)prop-2-enoic acid
SMILESCN/C=C/C(=O)O
InChIInChI=1S/C4H7NO2/c1-5-3-2-4(6)7/h2-3,5H,1H3,(H,6,7)/b3-2+
InChIKeyBSIFHEUIVGOUJY-NSCUHMNNSA-N
XLogP-0.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(methylamino)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 170852351
CID 170852351
(E)-3-(dimethylamino)acrylic acid
CID 5785453
(E)-3-Aminoacrylic acid
CID 10148985
Ethenamine;prop-2-enoic acid
CID 18702490
3-(Prop-2-enoylamino)prop-2-enoic acid
CID 53958477
beta-Aminoacrylic acid
CID 73447115
N-ethenylacetamide;prop-2-enoic acid
CID 87974681
N-ethenylformamide;prop-2-enoic acid
CID 129031284
Ureidoacrylic acid
CID 1751484
(Z)-3-aminoacrylic acid
CID 46173136
(Z)-3-(Dimethylamino)acrylic acid
CID 54606938
(E)-3-(2,2-difluoroethylamino)prop-2-enoic acid
CID 103260440

Frequently Asked Questions

What is the IUPAC name of (E)-3-(methylamino)prop-2-enoic acid?
The IUPAC name of (E)-3-(methylamino)prop-2-enoic acid (CID 10192559) is (E)-3-(methylamino)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(methylamino)prop-2-enoic acid?
The canonical SMILES for (E)-3-(methylamino)prop-2-enoic acid is CN/C=C/C(=O)O.
What is the InChIKey of (E)-3-(methylamino)prop-2-enoic acid?
The InChIKey is BSIFHEUIVGOUJY-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7NO2/c1-5-3-2-4(6)7/h2-3,5H,1H3,(H,6,7)/b3-2+.
What are the key properties of (E)-3-(methylamino)prop-2-enoic acid?
(E)-3-(methylamino)prop-2-enoic acid has a molecular weight of 101.10 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methylamino)prop-2-enoic acid is sourced from PubChem (CID 10192559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).