2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid

C12H15N3O5 — CID 63645779

IUPAC2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ccncc1)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H15N3O5/c1-14(6-9-2-4-13-5-3-9)12(20)15(7-10(16)17)8-11(18)19/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPPCLTMLBIQUAMA-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.10
Rot. Bonds6

About 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 63645779) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID63645779
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ccncc1)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H15N3O5/c1-14(6-9-2-4-13-5-3-9)12(20)15(7-10(16)17)8-11(18)19/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPPCLTMLBIQUAMA-UHFFFAOYSA-N
XLogP0.10
TPSA111.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl(pyridin-4-ylmethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284114
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065620
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61201536
2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284869
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276361
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79284003
2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid (CID 63645779) is 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid is CN(Cc1ccncc1)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is PPCLTMLBIQUAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-14(6-9-2-4-13-5-3-9)12(20)15(7-10(16)17)8-11(18)19/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 281.27 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63645779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).