5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid

C20H23NO5S — CID 11855867

IUPAC5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid
SMILESCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C20H23NO5S/c1-2-17(22)13-3-5-14(6-4-13)21-15(7-10-19(21)23)11-26-12-16-8-9-18(27-16)20(24)25/h3-6,8-9,15,17,22H,2,7,10-12H2,1H3,(H,24,25)/t15-,17?/m1/s1
InChIKeyCQNLDPUJXLNMDP-LDCVWXEPSA-N
MW389.47 g/mol
LogP3.60
Rot. Bonds8

About 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid

5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid (PubChem CID 11855867) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid
PubChem CID11855867
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid
SMILESCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C20H23NO5S/c1-2-17(22)13-3-5-14(6-4-13)21-15(7-10-19(21)23)11-26-12-16-8-9-18(27-16)20(24)25/h3-6,8-9,15,17,22H,2,7,10-12H2,1H3,(H,24,25)/t15-,17?/m1/s1
InChIKeyCQNLDPUJXLNMDP-LDCVWXEPSA-N
XLogP3.60
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid 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 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid (CID 11855867) is 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid is CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid?
The InChIKey is CQNLDPUJXLNMDP-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-2-17(22)13-3-5-14(6-4-13)21-15(7-10-19(21)23)11-26-12-16-8-9-18(27-16)20(24)25/h3-6,8-9,15,17,22H,2,7,10-12H2,1H3,(H,24,25)/t15-,17?/m1/s1.
What are the key properties of 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid?
5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid has a molecular weight of 389.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-[4-(1-hydroxypropyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 11855867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).