4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid

C12H13ClN2O4 — CID 66238111

IUPAC4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
SMILESNC1COCC1C(=O)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C12H13ClN2O4/c13-8-3-6(12(17)18)1-2-10(8)15-11(16)7-4-19-5-9(7)14/h1-3,7,9H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyBTNZDXAWUUPNSV-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.95
Rot. Bonds3

About 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid

4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid (PubChem CID 66238111) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
PubChem CID66238111
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
SMILESNC1COCC1C(=O)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C12H13ClN2O4/c13-8-3-6(12(17)18)1-2-10(8)15-11(16)7-4-19-5-9(7)14/h1-3,7,9H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyBTNZDXAWUUPNSV-UHFFFAOYSA-N
XLogP0.95
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
CID 66237669
4-amino-N-(2-chloro-5-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239243
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
CID 66239433
4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
CID 66241218
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide
CID 66240426
4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide
CID 66239246
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
4-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 66240837

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid?
The IUPAC name of 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid (CID 66238111) is 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid.
What is the SMILES notation for 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid?
The canonical SMILES for 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid is NC1COCC1C(=O)Nc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid?
The InChIKey is BTNZDXAWUUPNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c13-8-3-6(12(17)18)1-2-10(8)15-11(16)7-4-19-5-9(7)14/h1-3,7,9H,4-5,14H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid?
4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid has a molecular weight of 284.70 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid is sourced from PubChem (CID 66238111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).