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

C16H23NO4 — CID 5497153

IUPAC1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid
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)/b4-3-/t11-,12-/m1/s1
InChIKeyTVRBFBSVUYCAKT-OPVGQWETSA-N
MW293.36 g/mol
LogP2.06
Rot. Bonds7

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

1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 5497153) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID5497153
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid
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)/b4-3-/t11-,12-/m1/s1
InChIKeyTVRBFBSVUYCAKT-OPVGQWETSA-N
XLogP2.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
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 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid (CID 5497153) is 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid 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-carboxylic acid?
The InChIKey is TVRBFBSVUYCAKT-OPVGQWETSA-N. 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)/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-carboxylic acid?
1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 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-carboxylic acid is sourced from PubChem (CID 5497153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).