2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid

C13H19N3O3 — CID 114326521

IUPAC2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H19N3O3/c1-9(2)7-16(8-12(17)18)13(19)10-3-4-15-11(5-10)6-14/h3-5,9H,6-8,14H2,1-2H3,(H,17,18)
InChIKeyWFPLDZCFWOCFGJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.72
Rot. Bonds6

About 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 114326521) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID114326521
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H19N3O3/c1-9(2)7-16(8-12(17)18)13(19)10-3-4-15-11(5-10)6-14/h3-5,9H,6-8,14H2,1-2H3,(H,17,18)
InChIKeyWFPLDZCFWOCFGJ-UHFFFAOYSA-N
XLogP0.72
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192734
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 114326521) is 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is WFPLDZCFWOCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)7-16(8-12(17)18)13(19)10-3-4-15-11(5-10)6-14/h3-5,9H,6-8,14H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 114326521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).