3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid

C14H21N3O3 — CID 61203855

IUPAC3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H21N3O3/c1-3-17(11-7-13(18)19)14(20)16(2)10-6-12-4-8-15-9-5-12/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyPOTZYCNRBJEGDE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.47
Rot. Bonds7

About 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid

3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid (PubChem CID 61203855) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
PubChem CID61203855
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H21N3O3/c1-3-17(11-7-13(18)19)14(20)16(2)10-6-12-4-8-15-9-5-12/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyPOTZYCNRBJEGDE-UHFFFAOYSA-N
XLogP1.47
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487712
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid (CID 61203855) is 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is POTZYCNRBJEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17(11-7-13(18)19)14(20)16(2)10-6-12-4-8-15-9-5-12/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61203855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).