(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

C10H10ClNO4S — CID 69438976

IUPAC(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(N[C@@H]1COC[C@@H]1C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S/c11-8-2-1-7(17-8)9(13)12-6-4-16-3-5(6)10(14)15/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)/t5-,6+/m0/s1
InChIKeySIXJHBITGVWFRW-NTSWFWBYSA-N
MW275.71 g/mol
LogP1.23
Rot. Bonds3

About (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 69438976) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID69438976
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(N[C@@H]1COC[C@@H]1C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S/c11-8-2-1-7(17-8)9(13)12-6-4-16-3-5(6)10(14)15/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)/t5-,6+/m0/s1
InChIKeySIXJHBITGVWFRW-NTSWFWBYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222915
5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
CID 122564714
4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 80644088
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240752
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
CID 90891307
4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66221178
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82833163
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 69438976) is (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is O=C(N[C@@H]1COC[C@@H]1C(=O)O)c1ccc(Cl)s1.
What is the InChIKey of (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SIXJHBITGVWFRW-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c11-8-2-1-7(17-8)9(13)12-6-4-16-3-5(6)10(14)15/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)/t5-,6+/m0/s1.
What are the key properties of (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 275.71 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 69438976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).