4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid

C13H17NO4S — CID 66221199

IUPAC4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
SMILESO=C(CCCc1cccs1)NC1COCC1C(=O)O
InChIInChI=1S/C13H17NO4S/c15-12(5-1-3-9-4-2-6-19-9)14-11-8-18-7-10(11)13(16)17/h2,4,6,10-11H,1,3,5,7-8H2,(H,14,15)(H,16,17)
InChIKeyXZZYCVSAZOIJBZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.29
Rot. Bonds6

About 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid

4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid (PubChem CID 66221199) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
PubChem CID66221199
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
SMILESO=C(CCCc1cccs1)NC1COCC1C(=O)O
InChIInChI=1S/C13H17NO4S/c15-12(5-1-3-9-4-2-6-19-9)14-11-8-18-7-10(11)13(16)17/h2,4,6,10-11H,1,3,5,7-8H2,(H,14,15)(H,16,17)
InChIKeyXZZYCVSAZOIJBZ-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-thiophen-2-ylbutanamide
CID 135112135
2-[(3R,4S)-3-(4-thiophen-2-ylbutanoylamino)oxan-4-yl]oxyacetic acid
CID 91794268
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609
4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66222677
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid (CID 66221199) is 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid is O=C(CCCc1cccs1)NC1COCC1C(=O)O.
What is the InChIKey of 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid?
The InChIKey is XZZYCVSAZOIJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(5-1-3-9-4-2-6-19-9)14-11-8-18-7-10(11)13(16)17/h2,4,6,10-11H,1,3,5,7-8H2,(H,14,15)(H,16,17).
What are the key properties of 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid?
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66221199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).