5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid

C14H18N2O4 — CID 64892399

IUPAC5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)C2(N)CCOC2)cc(C(=O)O)c1C
InChIInChI=1S/C14H18N2O4/c1-8-5-10(6-11(9(8)2)12(17)18)16-13(19)14(15)3-4-20-7-14/h5-6H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMCXRNDCQSAGPIC-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.06
Rot. Bonds3

About 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid

5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid (PubChem CID 64892399) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid
PubChem CID64892399
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)C2(N)CCOC2)cc(C(=O)O)c1C
InChIInChI=1S/C14H18N2O4/c1-8-5-10(6-11(9(8)2)12(17)18)16-13(19)14(15)3-4-20-7-14/h5-6H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMCXRNDCQSAGPIC-UHFFFAOYSA-N
XLogP1.06
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
CID 64891328
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2,3-dimethylbenzoic acid
CID 115448528
2-[(3-aminooxolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411627
3-amino-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 64893505
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
3-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115293785

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid (CID 64892399) is 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid is Cc1cc(NC(=O)C2(N)CCOC2)cc(C(=O)O)c1C.
What is the InChIKey of 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid?
The InChIKey is MCXRNDCQSAGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-5-10(6-11(9(8)2)12(17)18)16-13(19)14(15)3-4-20-7-14/h5-6H,3-4,7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid?
5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 64892399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).