2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid

C13H19N3O3 — CID 62637760

IUPAC2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-16(9-11-5-7-14-8-6-11)13(19)15(3)10(2)12(17)18/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyDJNBKRQOFLXSDJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds5

About 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid

2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 62637760) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
PubChem CID62637760
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-16(9-11-5-7-14-8-6-11)13(19)15(3)10(2)12(17)18/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyDJNBKRQOFLXSDJ-UHFFFAOYSA-N
XLogP1.43
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065620
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
2-methyl-3-[propanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323325
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822188
2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683024
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756242
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid (CID 62637760) is 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid is CCN(Cc1ccncc1)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is DJNBKRQOFLXSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-16(9-11-5-7-14-8-6-11)13(19)15(3)10(2)12(17)18/h5-8,10H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid?
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 62637760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).