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

C15H23N3O3 — CID 62822188

IUPAC2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-17(11-12-7-9-16-10-8-12)14(21)18(6-2)15(3,4)13(19)20/h7-10H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyTVTFXEMCKIEHMD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.21
Rot. Bonds6

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

2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62822188) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62822188
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-17(11-12-7-9-16-10-8-12)14(21)18(6-2)15(3,4)13(19)20/h7-10H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyTVTFXEMCKIEHMD-UHFFFAOYSA-N
XLogP2.21
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 62637760
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065620
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 114290465
2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid
CID 114990218
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
[ethyl(pyridin-4-ylmethyl)carbamothioyl]sulfanyl N-ethyl-N-(pyridin-4-ylmethyl)carbamodithioate
CID 168679323

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62822188) is 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(Cc1ccncc1)C(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is TVTFXEMCKIEHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-17(11-12-7-9-16-10-8-12)14(21)18(6-2)15(3,4)13(19)20/h7-10H,5-6,11H2,1-4H3,(H,19,20).
What are the key properties of 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).