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

C4H7NO2 — CID 59882569

IUPAC(Z)-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-IHWYPQMZSA-N
MW101.10 g/mol
LogP-0.20
Rot. Bonds2

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

(Z)-3-(methylamino)prop-2-enoic acid (PubChem CID 59882569) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (Z)-3-(methylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(methylamino)prop-2-enoic acid
PubChem CID59882569
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(Z)-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-IHWYPQMZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylamino)prop-2-enoic acid?
The IUPAC name of (Z)-3-(methylamino)prop-2-enoic acid (CID 59882569) is (Z)-3-(methylamino)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(methylamino)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(methylamino)prop-2-enoic acid is CN/C=C\C(=O)O.
What is the InChIKey of (Z)-3-(methylamino)prop-2-enoic acid?
The InChIKey is BSIFHEUIVGOUJY-IHWYPQMZSA-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 (Z)-3-(methylamino)prop-2-enoic acid?
(Z)-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 (Z)-3-(methylamino)prop-2-enoic acid is sourced from PubChem (CID 59882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).