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

C13H17N3O5 — CID 61327143

IUPAC2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(CCc1ccncc1)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H17N3O5/c1-16(7-4-10-2-5-14-6-3-10)13(20)15-11(17)8-21-9-12(18)19/h2-3,5-6H,4,7-9H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyRHTNQSHETJDMDH-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.11
Rot. Bonds7

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

2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61327143) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61327143
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(CCc1ccncc1)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H17N3O5/c1-16(7-4-10-2-5-14-6-3-10)13(20)15-11(17)8-21-9-12(18)19/h2-3,5-6H,4,7-9H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyRHTNQSHETJDMDH-UHFFFAOYSA-N
XLogP-0.11
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61329457
(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 80756722
(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855
4-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]butanoic acid
CID 61227572
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 112971297
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (CID 61327143) is 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is CN(CCc1ccncc1)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is RHTNQSHETJDMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-16(7-4-10-2-5-14-6-3-10)13(20)15-11(17)8-21-9-12(18)19/h2-3,5-6H,4,7-9H2,1H3,(H,18,19)(H,15,17,20).
What are the key properties of 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 295.30 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).