2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid

C13H18N2O3 — CID 20627822

IUPAC2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
SMILESCC(C)(C)C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)12(18)15(9-11(16)17)8-10-6-4-5-7-14-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyOXHCXFKNEAFVFA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds4

About 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid

2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 20627822) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID20627822
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
SMILESCC(C)(C)C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)12(18)15(9-11(16)17)8-10-6-4-5-7-14-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyOXHCXFKNEAFVFA-UHFFFAOYSA-N
XLogP1.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805230
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
CID 10344552
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 68715608
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
aniline;2-[2,3-diiminobutanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 143649879
CID 131857449
CID 131857449
2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24802747
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 79256586

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid (CID 20627822) is 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid is CC(C)(C)C(=O)N(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is OXHCXFKNEAFVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)12(18)15(9-11(16)17)8-10-6-4-5-7-14-10/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid?
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 20627822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).