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

C12H14N2O5 — CID 64892164

IUPAC4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
SMILESNC1(C(=O)Nc2ccc(C(=O)O)c(O)c2)CCOC1
InChIInChI=1S/C12H14N2O5/c13-12(3-4-19-6-12)11(18)14-7-1-2-8(10(16)17)9(15)5-7/h1-2,5,15H,3-4,6,13H2,(H,14,18)(H,16,17)
InChIKeyPMZBHNIKIRDUKY-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.15
Rot. Bonds3

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

4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 64892164) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID64892164
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
SMILESNC1(C(=O)Nc2ccc(C(=O)O)c(O)c2)CCOC1
InChIInChI=1S/C12H14N2O5/c13-12(3-4-19-6-12)11(18)14-7-1-2-8(10(16)17)9(15)5-7/h1-2,5,15H,3-4,6,13H2,(H,14,18)(H,16,17)
InChIKeyPMZBHNIKIRDUKY-UHFFFAOYSA-N
XLogP0.15
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 64892399
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
2-[(3-aminooxolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411627
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
3-amino-N-(3-pyrrol-1-ylphenyl)oxolane-3-carboxamide
CID 64893967

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid (CID 64892164) is 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid is NC1(C(=O)Nc2ccc(C(=O)O)c(O)c2)CCOC1.
What is the InChIKey of 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is PMZBHNIKIRDUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-12(3-4-19-6-12)11(18)14-7-1-2-8(10(16)17)9(15)5-7/h1-2,5,15H,3-4,6,13H2,(H,14,18)(H,16,17).
What are the key properties of 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 64892164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).