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

C12H14N2O4 — CID 66238273

IUPAC4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
SMILESNC1COCC1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H14N2O4/c13-10-6-18-5-9(10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-4,9-10H,5-6,13H2,(H,14,15)(H,16,17)
InChIKeyVEGBMDRCSDGQQO-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.30
Rot. Bonds3

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

4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid (PubChem CID 66238273) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
PubChem CID66238273
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
SMILESNC1COCC1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H14N2O4/c13-10-6-18-5-9(10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-4,9-10H,5-6,13H2,(H,14,15)(H,16,17)
InChIKeyVEGBMDRCSDGQQO-UHFFFAOYSA-N
XLogP0.30
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 66238833
4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
CID 66238111
2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
CID 66237709
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
4-amino-N-(4-propan-2-yloxyphenyl)oxolane-3-carboxamide
CID 66239409
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-3-carboxamide
CID 66239661
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid (CID 66238273) is 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid is NC1COCC1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid?
The InChIKey is VEGBMDRCSDGQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c13-10-6-18-5-9(10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-4,9-10H,5-6,13H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid?
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.30, 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]benzoic acid is sourced from PubChem (CID 66238273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).