2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid

C11H14N4O4 — CID 107438962

IUPAC2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
SMILESCc1ncccc1NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H14N4O4/c1-7-8(3-2-4-13-7)14-11(19)15(5-9(12)16)6-10(17)18/h2-4H,5-6H2,1H3,(H2,12,16)(H,14,19)(H,17,18)
InChIKeyQANWEFWBHQWFSL-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.21
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid (PubChem CID 107438962) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
PubChem CID107438962
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
SMILESCc1ncccc1NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H14N4O4/c1-7-8(3-2-4-13-7)14-11(19)15(5-9(12)16)6-10(17)18/h2-4H,5-6H2,1H3,(H2,12,16)(H,14,19)(H,17,18)
InChIKeyQANWEFWBHQWFSL-UHFFFAOYSA-N
XLogP-0.21
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107437366
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737
2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
CID 107438314
2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
CID 107439466
2-[(2-amino-2-oxoethyl)-[(2-bromo-5-methylphenyl)carbamoyl]amino]acetic acid
CID 107439128
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
2-[(2-amino-2-oxoethyl)-[(2-cyano-3-fluorophenyl)carbamoyl]amino]acetic acid
CID 107438042
2-[(2-amino-2-oxoethyl)-[(2,3,4-trifluorophenyl)carbamoyl]amino]acetic acid
CID 107437408
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
2-[prop-2-enyl(quinolin-8-ylcarbamoyl)amino]acetic acid
CID 79269945

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid (CID 107438962) is 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid is Cc1ncccc1NC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid?
The InChIKey is QANWEFWBHQWFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-7-8(3-2-4-13-7)14-11(19)15(5-9(12)16)6-10(17)18/h2-4H,5-6H2,1H3,(H2,12,16)(H,14,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid has a molecular weight of 266.26 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).