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

C12H15N3O5 — CID 63645112

IUPAC2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCCc1cccnc1
InChIInChI=1S/C12H15N3O5/c16-10(17)7-15(8-11(18)19)12(20)14-5-3-9-2-1-4-13-6-9/h1-2,4,6H,3,5,7-8H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyZWMPWVKCSGLHSY-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.20
Rot. Bonds7

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

2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid (PubChem CID 63645112) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
PubChem CID63645112
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCCc1cccnc1
InChIInChI=1S/C12H15N3O5/c16-10(17)7-15(8-11(18)19)12(20)14-5-3-9-2-1-4-13-6-9/h1-2,4,6H,3,5,7-8H2,(H,14,20)(H,16,17)(H,18,19)
InChIKeyZWMPWVKCSGLHSY-UHFFFAOYSA-N
XLogP-0.20
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-benzyl-1-prop-2-enyl-3-(2-pyridin-3-ylethyl)urea
CID 87003527
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 107434413
4-oxo-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 60914981
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid (CID 63645112) is 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCCc1cccnc1.
What is the InChIKey of 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is ZWMPWVKCSGLHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-10(17)7-15(8-11(18)19)12(20)14-5-3-9-2-1-4-13-6-9/h1-2,4,6H,3,5,7-8H2,(H,14,20)(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63645112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).