2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid

C11H15N3O3 — CID 60914415

IUPAC2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
SMILESCN(CCc1ccncc1)C(=O)NCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-14(11(17)13-8-10(15)16)7-4-9-2-5-12-6-3-9/h2-3,5-6H,4,7-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyWSZDYVWFVAQBMN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.35
Rot. Bonds5

About 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid

2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid (PubChem CID 60914415) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
PubChem CID60914415
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
SMILESCN(CCc1ccncc1)C(=O)NCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-14(11(17)13-8-10(15)16)7-4-9-2-5-12-6-3-9/h2-3,5-6H,4,7-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyWSZDYVWFVAQBMN-UHFFFAOYSA-N
XLogP0.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462
2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61327143
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 80756722
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
4-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]butanoic acid
CID 61227572

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid (CID 60914415) is 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid is CN(CCc1ccncc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid?
The InChIKey is WSZDYVWFVAQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14(11(17)13-8-10(15)16)7-4-9-2-5-12-6-3-9/h2-3,5-6H,4,7-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid?
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 60914415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).