(E)-3-(1-hydroxyethylamino)prop-2-enoic acid

C5H9NO3 — CID 163482223

IUPAC(E)-3-(1-hydroxyethylamino)prop-2-enoic acid
SMILESCC(O)N/C=C/C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-4,6-7H,1H3,(H,8,9)/b3-2+
InChIKeyCFNLOWHLRXDLAC-NSCUHMNNSA-N
MW131.13 g/mol
LogP-0.49
Rot. Bonds3

About (E)-3-(1-hydroxyethylamino)prop-2-enoic acid

(E)-3-(1-hydroxyethylamino)prop-2-enoic acid (PubChem CID 163482223) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (E)-3-(1-hydroxyethylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(1-hydroxyethylamino)prop-2-enoic acid
PubChem CID163482223
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(E)-3-(1-hydroxyethylamino)prop-2-enoic acid
SMILESCC(O)N/C=C/C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-4,6-7H,1H3,(H,8,9)/b3-2+
InChIKeyCFNLOWHLRXDLAC-NSCUHMNNSA-N
XLogP-0.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-hydroxyethylamino)prop-2-enoic acid?
The IUPAC name of (E)-3-(1-hydroxyethylamino)prop-2-enoic acid (CID 163482223) is (E)-3-(1-hydroxyethylamino)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(1-hydroxyethylamino)prop-2-enoic acid?
The canonical SMILES for (E)-3-(1-hydroxyethylamino)prop-2-enoic acid is CC(O)N/C=C/C(=O)O.
What is the InChIKey of (E)-3-(1-hydroxyethylamino)prop-2-enoic acid?
The InChIKey is CFNLOWHLRXDLAC-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-4,6-7H,1H3,(H,8,9)/b3-2+.
What are the key properties of (E)-3-(1-hydroxyethylamino)prop-2-enoic acid?
(E)-3-(1-hydroxyethylamino)prop-2-enoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-hydroxyethylamino)prop-2-enoic acid is sourced from PubChem (CID 163482223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).