2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid

C10H13N3O3 — CID 43135912

IUPAC2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCc1ccncc1
InChIInChI=1S/C10H13N3O3/c1-13(7-9(14)15)10(16)12-6-8-2-4-11-5-3-8/h2-5H,6-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyJMDRGKUUTWUXPD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.31
Rot. Bonds4

About 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid

2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 43135912) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
PubChem CID43135912
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCc1ccncc1
InChIInChI=1S/C10H13N3O3/c1-13(7-9(14)15)10(16)12-6-8-2-4-11-5-3-8/h2-5H,6-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyJMDRGKUUTWUXPD-UHFFFAOYSA-N
XLogP0.31
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
CID 62879277
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973
1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea
CID 69070327
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
CID 108946043
2-[(2-bromophenyl)methylcarbamoyl-methylamino]acetic acid
CID 61414155
ethane;pyridin-4-ylmethylurea
CID 144877282
[methyl-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]carbamoyl] 3-phenylpropaneperoxoate
CID 56985373

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid (CID 43135912) is 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCc1ccncc1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is JMDRGKUUTWUXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13(7-9(14)15)10(16)12-6-8-2-4-11-5-3-8/h2-5H,6-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid?
2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43135912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).