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

C15H23N3O3 — CID 63065620

IUPAC2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H23N3O3/c1-4-17(10-13-5-7-16-8-6-13)15(21)18(9-12(2)3)11-14(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyNJMQSYIJBWHRNP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.07
Rot. Bonds7

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

2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065620) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065620
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H23N3O3/c1-4-17(10-13-5-7-16-8-6-13)15(21)18(9-12(2)3)11-14(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyNJMQSYIJBWHRNP-UHFFFAOYSA-N
XLogP2.07
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 62637760
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
2-methyl-3-[propanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323325
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822188
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065449
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (CID 63065620) is 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is CCN(Cc1ccncc1)C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is NJMQSYIJBWHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-17(10-13-5-7-16-8-6-13)15(21)18(9-12(2)3)11-14(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.07, 7 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]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).