2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid

C15H23NO4 — CID 90709384

IUPAC2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid
SMILESNC(CC=C1CCOC1=O)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23NO4/c16-12(5-4-11-6-9-20-14(11)19)15(10-13(17)18)7-2-1-3-8-15/h4,12H,1-3,5-10,16H2,(H,17,18)
InChIKeyBGZKTMNEIJGNDV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid

2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid (PubChem CID 90709384) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid
PubChem CID90709384
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid
SMILESNC(CC=C1CCOC1=O)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H23NO4/c16-12(5-4-11-6-9-20-14(11)19)15(10-13(17)18)7-2-1-3-8-15/h4,12H,1-3,5-10,16H2,(H,17,18)
InChIKeyBGZKTMNEIJGNDV-UHFFFAOYSA-N
XLogP2.00
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid (CID 90709384) is 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid is NC(CC=C1CCOC1=O)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid?
The InChIKey is BGZKTMNEIJGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c16-12(5-4-11-6-9-20-14(11)19)15(10-13(17)18)7-2-1-3-8-15/h4,12H,1-3,5-10,16H2,(H,17,18).
What are the key properties of 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid?
2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid has a molecular weight of 281.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-amino-3-(2-oxooxolan-3-ylidene)propyl]cyclohexyl]acetic acid is sourced from PubChem (CID 90709384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).