4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid

C12H15N3O4 — CID 114326740

IUPAC4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
SMILESNCc1cc(C(=O)NC2COCC2C(=O)O)ccn1
InChIInChI=1S/C12H15N3O4/c13-4-8-3-7(1-2-14-8)11(16)15-10-6-19-5-9(10)12(17)18/h1-3,9-10H,4-6,13H2,(H,15,16)(H,17,18)
InChIKeyKRHWZJAGJXMRHY-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.63
Rot. Bonds4

About 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid

4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 114326740) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID114326740
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
SMILESNCc1cc(C(=O)NC2COCC2C(=O)O)ccn1
InChIInChI=1S/C12H15N3O4/c13-4-8-3-7(1-2-14-8)11(16)15-10-6-19-5-9(10)12(17)18/h1-3,9-10H,4-6,13H2,(H,15,16)(H,17,18)
InChIKeyKRHWZJAGJXMRHY-UHFFFAOYSA-N
XLogP-0.63
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
CID 114326744
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 114326766
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid (CID 114326740) is 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid is NCc1cc(C(=O)NC2COCC2C(=O)O)ccn1.
What is the InChIKey of 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is KRHWZJAGJXMRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-4-8-3-7(1-2-14-8)11(16)15-10-6-19-5-9(10)12(17)18/h1-3,9-10H,4-6,13H2,(H,15,16)(H,17,18).
What are the key properties of 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid?
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114326740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).