2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid

C13H18N2O3 — CID 63704055

IUPAC2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
SMILESCC(=O)N(C(C)C)C(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-9(2)15(10(3)16)13(4,12(17)18)11-6-5-7-14-8-11/h5-9H,1-4H3,(H,17,18)
InChIKeyCNJDQSNYNLGGOK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid

2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid (PubChem CID 63704055) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
PubChem CID63704055
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
SMILESCC(=O)N(C(C)C)C(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-9(2)15(10(3)16)13(4,12(17)18)11-6-5-7-14-8-11/h5-9H,1-4H3,(H,17,18)
InChIKeyCNJDQSNYNLGGOK-UHFFFAOYSA-N
XLogP1.64
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic 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-[acetyl(propan-2-yl)amino]-2-(4-bromophenyl)propanoic acid
CID 55233393
2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
CID 63703799
2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63703243
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid
CID 63704049
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
CID 55233795
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid (CID 63704055) is 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid is CC(=O)N(C(C)C)C(C)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid?
The InChIKey is CNJDQSNYNLGGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)15(10(3)16)13(4,12(17)18)11-6-5-7-14-8-11/h5-9H,1-4H3,(H,17,18).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid?
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 63704055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).