2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid

C13H19N3O3 — CID 79256586

IUPAC2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1ccccn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16(9-11(17)18)12(19)15-8-10-6-4-5-7-14-10/h4-7H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYJBDKCXDGXGZLY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds4

About 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid

2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 79256586) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
PubChem CID79256586
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1ccccn1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)16(9-11(17)18)12(19)15-8-10-6-4-5-7-14-10/h4-7H,8-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYJBDKCXDGXGZLY-UHFFFAOYSA-N
XLogP1.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid
CID 79257084
4-tert-butyl-N-(pyridin-2-ylmethylcarbamoyl)-N-sulfanylbenzamide
CID 89499214
sodium;hydride;3-methyl-2-[methyl(pyridin-2-ylmethylcarbamoyl)amino]butanoic acid
CID 173253512
N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963398
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79257175
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid (CID 79256586) is 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NCc1ccccn1.
What is the InChIKey of 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is YJBDKCXDGXGZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)16(9-11(17)18)12(19)15-8-10-6-4-5-7-14-10/h4-7H,8-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid?
2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79256586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).