3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid

C12H17NO3 — CID 64766284

IUPAC3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CC=CC1)C1CC1
InChIInChI=1S/C12H17NO3/c14-11(15)7-8-13(10-5-6-10)12(16)9-3-1-2-4-9/h1-2,9-10H,3-8H2,(H,14,15)
InChIKeyOQBUQVJWSKHNQS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.42
Rot. Bonds5

About 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid

3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid (PubChem CID 64766284) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid
PubChem CID64766284
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1CC=CC1)C1CC1
InChIInChI=1S/C12H17NO3/c14-11(15)7-8-13(10-5-6-10)12(16)9-3-1-2-4-9/h1-2,9-10H,3-8H2,(H,14,15)
InChIKeyOQBUQVJWSKHNQS-UHFFFAOYSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[Cyclopropylmethyl(pent-4-enoyl)amino]propanoic acid
CID 57874015
3-[Cyclohex-3-ene-1-carbonyl(ethyl)amino]butanoic acid
CID 55124005
3-[Tert-butyl-(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 60825135
3-[Cyclohex-3-ene-1-carbonyl(propan-2-yl)amino]propanoic acid
CID 60830383
3-[(2-Cyclopent-2-en-1-ylacetyl)-propan-2-ylamino]propanoic acid
CID 60830555
3-[Cyclohex-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid
CID 60844345
3-[(2-Cyclopent-2-en-1-ylacetyl)-cyclopropylamino]propanoic acid
CID 60845043
3-[(2-Cyclopent-2-en-1-ylacetyl)-methylamino]propanoic acid
CID 60988725
3-[(2-Cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
CID 61007987
3-[(2-Cyclopent-2-en-1-ylacetyl)-methylamino]-2-methylpropanoic acid
CID 61599992
3-[Cyclopropyl(pent-4-enoyl)amino]propanoic acid
CID 62683643
3-[(2-Cyclopent-2-en-1-ylacetyl)-ethylamino]butanoic acid
CID 62821572

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid (CID 64766284) is 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid is O=C(O)CCN(C(=O)C1CC=CC1)C1CC1.
What is the InChIKey of 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid?
The InChIKey is OQBUQVJWSKHNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(15)7-8-13(10-5-6-10)12(16)9-3-1-2-4-9/h1-2,9-10H,3-8H2,(H,14,15).
What are the key properties of 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid?
3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 64766284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).