2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid

C12H13ClN2O4 — CID 66237669

IUPAC2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
SMILESNC1COCC1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H13ClN2O4/c13-6-1-2-7(12(17)18)10(3-6)15-11(16)8-4-19-5-9(8)14/h1-3,8-9H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyMWFLWTTYJYDDAB-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.95
Rot. Bonds3

About 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid

2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid (PubChem CID 66237669) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
PubChem CID66237669
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
SMILESNC1COCC1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H13ClN2O4/c13-6-1-2-7(12(17)18)10(3-6)15-11(16)8-4-19-5-9(8)14/h1-3,8-9H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyMWFLWTTYJYDDAB-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]-3-chlorobenzoic acid
CID 66238111
4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
CID 66241218
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-4-chlorobenzoic acid
CID 79207584
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
CID 66239433
4-chloro-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]benzoic acid
CID 98540711
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
(4-aminooxolan-3-yl)-(2,5-dichlorophenyl)methanone
CID 116587500
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-(2-chloro-5-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239243
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzoic acid
CID 79511933

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid (CID 66237669) is 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid is NC1COCC1C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid?
The InChIKey is MWFLWTTYJYDDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c13-6-1-2-7(12(17)18)10(3-6)15-11(16)8-4-19-5-9(8)14/h1-3,8-9H,4-5,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid?
2-[(4-aminooxolane-3-carbonyl)amino]-4-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 2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 66237669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).