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

C6H9NO2 — CID 59824036

IUPAC(Z)-3-(prop-2-enylamino)prop-2-enoic acid
SMILESC=CCN/C=C\C(=O)O
InChIInChI=1S/C6H9NO2/c1-2-4-7-5-3-6(8)9/h2-3,5,7H,1,4H2,(H,8,9)/b5-3-
InChIKeyGBKRZJZDIBMDBV-HYXAFXHYSA-N
MW127.14 g/mol
LogP0.36
Rot. Bonds4

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

(Z)-3-(prop-2-enylamino)prop-2-enoic acid (PubChem CID 59824036) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (Z)-3-(prop-2-enylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(prop-2-enylamino)prop-2-enoic acid
PubChem CID59824036
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(Z)-3-(prop-2-enylamino)prop-2-enoic acid
SMILESC=CCN/C=C\C(=O)O
InChIInChI=1S/C6H9NO2/c1-2-4-7-5-3-6(8)9/h2-3,5,7H,1,4H2,(H,8,9)/b5-3-
InChIKeyGBKRZJZDIBMDBV-HYXAFXHYSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(prop-2-enylamino)prop-2-enoic acid?
The IUPAC name of (Z)-3-(prop-2-enylamino)prop-2-enoic acid (CID 59824036) is (Z)-3-(prop-2-enylamino)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(prop-2-enylamino)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(prop-2-enylamino)prop-2-enoic acid is C=CCN/C=C\C(=O)O.
What is the InChIKey of (Z)-3-(prop-2-enylamino)prop-2-enoic acid?
The InChIKey is GBKRZJZDIBMDBV-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-4-7-5-3-6(8)9/h2-3,5,7H,1,4H2,(H,8,9)/b5-3-.
What are the key properties of (Z)-3-(prop-2-enylamino)prop-2-enoic acid?
(Z)-3-(prop-2-enylamino)prop-2-enoic acid has a molecular weight of 127.14 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(prop-2-enylamino)prop-2-enoic acid is sourced from PubChem (CID 59824036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).