2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid

C12H17N3O3 — CID 61199222

IUPAC2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H17N3O3/c1-3-15(8-11(16)17)12(18)14-9(2)10-6-4-5-7-13-10/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJZZQXCJJAIAZNN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.26
Rot. Bonds5

About 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid

2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid (PubChem CID 61199222) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid
PubChem CID61199222
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H17N3O3/c1-3-15(8-11(16)17)12(18)14-9(2)10-6-4-5-7-13-10/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJZZQXCJJAIAZNN-UHFFFAOYSA-N
XLogP1.26
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94172078
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 113364271
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
4-(diethylamino)-4-oxo-3-pyridin-2-ylbutanoic acid
CID 112516163
2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
CID 104570205
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid (CID 61199222) is 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)NC(C)c1ccccn1.
What is the InChIKey of 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is JZZQXCJJAIAZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-15(8-11(16)17)12(18)14-9(2)10-6-4-5-7-13-10/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid?
2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61199222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).