(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

C19H27N5O2 — CID 22842642

IUPAC(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C19H27N5O2/c1-13(2)10-22-19(26)17(8-14-6-4-3-5-7-14)24-18(25)16(20)9-15-11-21-12-23-15/h3-7,11-13,16-17H,8-10,20H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t16-,17-/m1/s1
InChIKeyUHYGHSYIXXENKU-IAGOWNOFSA-N
MW357.46 g/mol
LogP0.78
Rot. Bonds9

About (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 22842642) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID22842642
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C19H27N5O2/c1-13(2)10-22-19(26)17(8-14-6-4-3-5-7-14)24-18(25)16(20)9-15-11-21-12-23-15/h3-7,11-13,16-17H,8-10,20H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t16-,17-/m1/s1
InChIKeyUHYGHSYIXXENKU-IAGOWNOFSA-N
XLogP0.78
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide 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-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
CID 18497987
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid;dihydrate
CID 175739992
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid
CID 145455941
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 18496776
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 18498031
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 18500478
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 22705772
3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-[(1-carboxy-2-phenylethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18494042
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 18496217
(3S)-3-amino-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-4-oxobutanoic acid
CID 67112441
2-[[4-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 18497867
2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 22702719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 22842642) is (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is CC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is UHYGHSYIXXENKU-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)10-22-19(26)17(8-14-6-4-3-5-7-14)24-18(25)16(20)9-15-11-21-12-23-15/h3-7,11-13,16-17H,8-10,20H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 357.46 g/mol, XLogP of 0.78, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 22842642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).