4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid

C14H16ClNO4 — CID 66222677

IUPAC4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCc1ccccc1Cl)NC1COCC1C(=O)O
InChIInChI=1S/C14H16ClNO4/c15-11-4-2-1-3-9(11)5-6-13(17)16-12-8-20-7-10(12)14(18)19/h1-4,10,12H,5-8H2,(H,16,17)(H,18,19)
InChIKeyIEQFLKYYKZJQLL-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.49
Rot. Bonds5

About 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid

4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 66222677) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
PubChem CID66222677
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCc1ccccc1Cl)NC1COCC1C(=O)O
InChIInChI=1S/C14H16ClNO4/c15-11-4-2-1-3-9(11)5-6-13(17)16-12-8-20-7-10(12)14(18)19/h1-4,10,12H,5-8H2,(H,16,17)(H,18,19)
InChIKeyIEQFLKYYKZJQLL-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222666
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)propanamide
CID 50946051
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
CID 95118659
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
CID 66221199
4-[[2-(2-aminoethyl)benzoyl]amino]oxolane-3-carboxylic acid
CID 66238525
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221632
4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
CID 66220969
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221426
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid (CID 66222677) is 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid is O=C(CCc1ccccc1Cl)NC1COCC1C(=O)O.
What is the InChIKey of 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is IEQFLKYYKZJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-4-2-1-3-9(11)5-6-13(17)16-12-8-20-7-10(12)14(18)19/h1-4,10,12H,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid?
4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).