(E)-2-acetamido-5-hydroxypent-3-enoic acid

C7H11NO4 — CID 19708162

IUPAC(E)-2-acetamido-5-hydroxypent-3-enoic acid
SMILESCC(=O)NC(/C=C/CO)C(=O)O
InChIInChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h2-3,6,9H,4H2,1H3,(H,8,10)(H,11,12)/b3-2+
InChIKeyANSJVVVFRSBVPU-NSCUHMNNSA-N
MW173.17 g/mol
LogP-0.88
Rot. Bonds4

About (E)-2-acetamido-5-hydroxypent-3-enoic acid

(E)-2-acetamido-5-hydroxypent-3-enoic acid (PubChem CID 19708162) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (E)-2-acetamido-5-hydroxypent-3-enoic acid.

Molecular Properties

Compound Name(E)-2-acetamido-5-hydroxypent-3-enoic acid
PubChem CID19708162
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(E)-2-acetamido-5-hydroxypent-3-enoic acid
SMILESCC(=O)NC(/C=C/CO)C(=O)O
InChIInChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h2-3,6,9H,4H2,1H3,(H,8,10)(H,11,12)/b3-2+
InChIKeyANSJVVVFRSBVPU-NSCUHMNNSA-N
XLogP-0.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-5-hydroxypent-3-enoic acid?
The IUPAC name of (E)-2-acetamido-5-hydroxypent-3-enoic acid (CID 19708162) is (E)-2-acetamido-5-hydroxypent-3-enoic acid.
What is the SMILES notation for (E)-2-acetamido-5-hydroxypent-3-enoic acid?
The canonical SMILES for (E)-2-acetamido-5-hydroxypent-3-enoic acid is CC(=O)NC(/C=C/CO)C(=O)O.
What is the InChIKey of (E)-2-acetamido-5-hydroxypent-3-enoic acid?
The InChIKey is ANSJVVVFRSBVPU-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h2-3,6,9H,4H2,1H3,(H,8,10)(H,11,12)/b3-2+.
What are the key properties of (E)-2-acetamido-5-hydroxypent-3-enoic acid?
(E)-2-acetamido-5-hydroxypent-3-enoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-5-hydroxypent-3-enoic acid is sourced from PubChem (CID 19708162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).