(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid

C15H21N3O4 — CID 7591351

IUPAC(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid
SMILESCCCN[C@H](CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C15H21N3O4/c1-3-8-16-13(15(21)22)9-14(20)18-12-6-4-11(5-7-12)17-10(2)19/h4-7,13,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyIZHLPMIJIFTPNG-CYBMUJFWSA-N
MW307.35 g/mol
LogP1.43
Rot. Bonds8

About (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid

(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid (PubChem CID 7591351) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid
PubChem CID7591351
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid
SMILESCCCN[C@H](CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C15H21N3O4/c1-3-8-16-13(15(21)22)9-14(20)18-12-6-4-11(5-7-12)17-10(2)19/h4-7,13,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyIZHLPMIJIFTPNG-CYBMUJFWSA-N
XLogP1.43
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic 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

(2S)-4-(4-acetamidoanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid
CID 7591355
4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
CID 18886290
4-oxo-4-(4-phenylmethoxyanilino)-2-(propylamino)butanoic acid
CID 66491367
(2R)-4-(4-anilinoanilino)-4-oxo-2-(pentylamino)butanoic acid
CID 7591405
(2R)-2-(ethylamino)-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 7591263
(2S)-4-(3-fluoroanilino)-4-oxo-2-(propylamino)butanoic acid
CID 7592478
4-(4-anilinoanilino)-2-(hexylamino)-4-oxobutanoic acid
CID 18581013
4-oxo-2-(propylamino)-4-(pyridin-3-ylamino)butanoic acid
CID 6852100
4-oxo-2-(pentylamino)-4-(4-propan-2-ylanilino)butanoic acid
CID 3355492
4-(4-methoxyanilino)-4-oxo-2-(pentylamino)butanoic acid
CID 3237028
(2R)-2-(2-aminoethylamino)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7590969
(2R)-2-(2-aminoethylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 7590951

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid?
The IUPAC name of (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid (CID 7591351) is (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid.
What is the SMILES notation for (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid?
The canonical SMILES for (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid is CCCN[C@H](CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)O.
What is the InChIKey of (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid?
The InChIKey is IZHLPMIJIFTPNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-8-16-13(15(21)22)9-14(20)18-12-6-4-11(5-7-12)17-10(2)19/h4-7,13,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid?
(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid has a molecular weight of 307.35 g/mol, XLogP of 1.43, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid is sourced from PubChem (CID 7591351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).