(2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid

C16H20N4O3 — CID 164527678

IUPAC(2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1-c1cccc(C(=O)NC[C@@H](N)C(=O)O)c1
InChIInChI=1S/C16H20N4O3/c1-9-14(10(2)20(3)19-9)11-5-4-6-12(7-11)15(21)18-8-13(17)16(22)23/h4-7,13H,8,17H2,1-3H3,(H,18,21)(H,22,23)/t13-/m1/s1
InChIKeySJIHDCVBRCHIPD-CYBMUJFWSA-N
MW316.36 g/mol
LogP0.85
Rot. Bonds5

About (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid

(2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid (PubChem CID 164527678) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid
PubChem CID164527678
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1-c1cccc(C(=O)NC[C@@H](N)C(=O)O)c1
InChIInChI=1S/C16H20N4O3/c1-9-14(10(2)20(3)19-9)11-5-4-6-12(7-11)15(21)18-8-13(17)16(22)23/h4-7,13H,8,17H2,1-3H3,(H,18,21)(H,22,23)/t13-/m1/s1
InChIKeySJIHDCVBRCHIPD-CYBMUJFWSA-N
XLogP0.85
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic 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-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
CID 67154339
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250
3-[1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)benzamide
CID 118771858
N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 54910186
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 68603052
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64541906
2-amino-3-[[3-(3-ethylimidazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527008
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid (CID 164527678) is (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid is Cc1nn(C)c(C)c1-c1cccc(C(=O)NC[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid?
The InChIKey is SJIHDCVBRCHIPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-14(10(2)20(3)19-9)11-5-4-6-12(7-11)15(21)18-8-13(17)16(22)23/h4-7,13H,8,17H2,1-3H3,(H,18,21)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid?
(2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid has a molecular weight of 316.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[3-(1,3,5-trimethylpyrazol-4-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 164527678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).