5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid

C10H15NO3 — CID 54556243

IUPAC5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
SMILESO=C(O)C=CCCNC(=O)CC1CC1
InChIInChI=1S/C10H15NO3/c12-9(7-8-4-5-8)11-6-2-1-3-10(13)14/h1,3,8H,2,4-7H2,(H,11,12)(H,13,14)
InChIKeyZNJAPEJDPKNAHW-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds6

About 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid

5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid (PubChem CID 54556243) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid.

Molecular Properties

Compound Name5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
PubChem CID54556243
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid
SMILESO=C(O)C=CCCNC(=O)CC1CC1
InChIInChI=1S/C10H15NO3/c12-9(7-8-4-5-8)11-6-2-1-3-10(13)14/h1,3,8H,2,4-7H2,(H,11,12)(H,13,14)
InChIKeyZNJAPEJDPKNAHW-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
The IUPAC name of 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid (CID 54556243) is 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid.
What is the SMILES notation for 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
The canonical SMILES for 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid is O=C(O)C=CCCNC(=O)CC1CC1.
What is the InChIKey of 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
The InChIKey is ZNJAPEJDPKNAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9(7-8-4-5-8)11-6-2-1-3-10(13)14/h1,3,8H,2,4-7H2,(H,11,12)(H,13,14).
What are the key properties of 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid?
5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropylacetyl)amino]pent-2-enoic acid is sourced from PubChem (CID 54556243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).