2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid

C14H21N3O3 — CID 62821296

IUPAC2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCc1ccncc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-17(14(2,3)12(18)19)13(20)16-10-7-11-5-8-15-9-6-11/h5-6,8-9H,4,7,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyKTCZRGVUKIOQGU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds6

About 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid

2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 62821296) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID62821296
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCc1ccncc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-17(14(2,3)12(18)19)13(20)16-10-7-11-5-8-15-9-6-11/h5-6,8-9H,4,7,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyKTCZRGVUKIOQGU-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62821295
2-[ethyl-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 80689332
2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 114184442
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822188
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
CID 61203871
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820771
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822227

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid (CID 62821296) is 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid is CCN(C(=O)NCCc1ccncc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is KTCZRGVUKIOQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17(14(2,3)12(18)19)13(20)16-10-7-11-5-8-15-9-6-11/h5-6,8-9H,4,7,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).