2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid

C14H21N3O3 — CID 61203871

IUPAC2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCc1ccncc1
InChIInChI=1S/C14H21N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-9-6-12-4-7-15-8-5-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYNBAUIWFZCOQGF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds7

About 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid

2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid (PubChem CID 61203871) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
PubChem CID61203871
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCc1ccncc1
InChIInChI=1S/C14H21N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-9-6-12-4-7-15-8-5-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYNBAUIWFZCOQGF-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butan-2-yl(2-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61184520
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 81069402
2-[(3-amino-3-oxopropyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61201518
2-[butan-2-yl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
CID 61184394
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid (CID 61203871) is 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCCc1ccncc1.
What is the InChIKey of 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is YNBAUIWFZCOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-9-6-12-4-7-15-8-5-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61203871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).