2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid

C11H13N3O5 — CID 63645773

IUPAC2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCc1cccnc1
InChIInChI=1S/C11H13N3O5/c15-9(16)6-14(7-10(17)18)11(19)13-5-8-2-1-3-12-4-8/h1-4H,5-7H2,(H,13,19)(H,15,16)(H,17,18)
InChIKeyAYJLPLFTMRULNR-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.24
Rot. Bonds6

About 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid

2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 63645773) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
PubChem CID63645773
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCc1cccnc1
InChIInChI=1S/C11H13N3O5/c15-9(16)6-14(7-10(17)18)11(19)13-5-8-2-1-3-12-4-8/h1-4H,5-7H2,(H,13,19)(H,15,16)(H,17,18)
InChIKeyAYJLPLFTMRULNR-UHFFFAOYSA-N
XLogP-0.24
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63645112
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid (CID 63645773) is 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCc1cccnc1.
What is the InChIKey of 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is AYJLPLFTMRULNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-9(16)6-14(7-10(17)18)11(19)13-5-8-2-1-3-12-4-8/h1-4H,5-7H2,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63645773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).