1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate

C16H22NO4- — CID 126961165

IUPAC1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NC1(C(=O)[O-])CC1
InChIInChI=1S/C16H23NO4/c1-2-3-4-5-12-11(6-7-13(12)18)10-14(19)17-16(8-9-16)15(20)21/h3-4,11-12H,2,5-10H2,1H3,(H,17,19)(H,20,21)/p-1/b4-3-/t11-,12-/m1/s1
InChIKeyTVRBFBSVUYCAKT-OPVGQWETSA-M
MW292.36 g/mol
LogP0.73
Rot. Bonds7

About 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate

1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate (PubChem CID 126961165) has the molecular formula C16H22NO4- and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate
PubChem CID126961165
Molecular FormulaC16H22NO4-
Molecular Weight292.36 g/mol
Exact Mass292.16
IUPAC Name1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NC1(C(=O)[O-])CC1
InChIInChI=1S/C16H23NO4/c1-2-3-4-5-12-11(6-7-13(12)18)10-14(19)17-16(8-9-16)15(20)21/h3-4,11-12H,2,5-10H2,1H3,(H,17,19)(H,20,21)/p-1/b4-3-/t11-,12-/m1/s1
InChIKeyTVRBFBSVUYCAKT-OPVGQWETSA-M
XLogP0.73
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate?
The IUPAC name of 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate (CID 126961165) is 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate.
What is the SMILES notation for 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate?
The canonical SMILES for 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate is CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NC1(C(=O)[O-])CC1.
What is the InChIKey of 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate?
The InChIKey is TVRBFBSVUYCAKT-OPVGQWETSA-M. The full InChI is InChI=1S/C16H23NO4/c1-2-3-4-5-12-11(6-7-13(12)18)10-14(19)17-16(8-9-16)15(20)21/h3-4,11-12H,2,5-10H2,1H3,(H,17,19)(H,20,21)/p-1/b4-3-/t11-,12-/m1/s1.
What are the key properties of 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate?
1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 126961165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).