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

C12H16N4O4 — CID 107438737

IUPAC2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCc1cccnc1CNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H16N4O4/c1-8-3-2-4-14-9(8)5-15-12(20)16(6-10(13)17)7-11(18)19/h2-4H,5-7H2,1H3,(H2,13,17)(H,15,20)(H,18,19)
InChIKeyQDFUERJZIYLFCG-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.53
Rot. Bonds6

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

2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid (PubChem CID 107438737) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
PubChem CID107438737
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
SMILESCc1cccnc1CNC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H16N4O4/c1-8-3-2-4-14-9(8)5-15-12(20)16(6-10(13)17)7-11(18)19/h2-4H,5-7H2,1H3,(H2,13,17)(H,15,20)(H,18,19)
InChIKeyQDFUERJZIYLFCG-UHFFFAOYSA-N
XLogP-0.53
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid with MolForge

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
CID 107438962
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid
CID 82749531
2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 107438329
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid
CID 55206343
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 107438781
2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005640
2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 107438527
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid (CID 107438737) is 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid is Cc1cccnc1CNC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is QDFUERJZIYLFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-8-3-2-4-14-9(8)5-15-12(20)16(6-10(13)17)7-11(18)19/h2-4H,5-7H2,1H3,(H2,13,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of -0.53, 6 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)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107438737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).