5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide

C13H17N3O3 — CID 119946036

IUPAC5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)C1CCC(CNC(=O)c2ccccc2N)O1
InChIInChI=1S/C13H17N3O3/c14-10-4-2-1-3-9(10)13(18)16-7-8-5-6-11(19-8)12(15)17/h1-4,8,11H,5-7,14H2,(H2,15,17)(H,16,18)
InChIKeyQZKGGWNGAQIJOK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.03
Rot. Bonds4

About 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide

5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide (PubChem CID 119946036) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
PubChem CID119946036
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)C1CCC(CNC(=O)c2ccccc2N)O1
InChIInChI=1S/C13H17N3O3/c14-10-4-2-1-3-9(10)13(18)16-7-8-5-6-11(19-8)12(15)17/h1-4,8,11H,5-7,14H2,(H2,15,17)(H,16,18)
InChIKeyQZKGGWNGAQIJOK-UHFFFAOYSA-N
XLogP0.03
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
5-[[(2-bromo-3-methylbenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 107981508
5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115413552
(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
CID 97225759
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 129403186
(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835307
(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97241017
(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
CID 97007840
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507625

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide (CID 119946036) is 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide is NC(=O)C1CCC(CNC(=O)c2ccccc2N)O1.
What is the InChIKey of 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide?
The InChIKey is QZKGGWNGAQIJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10-4-2-1-3-9(10)13(18)16-7-8-5-6-11(19-8)12(15)17/h1-4,8,11H,5-7,14H2,(H2,15,17)(H,16,18).
What are the key properties of 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide?
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 119946036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).