(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide

C19H33N3O2 — CID 175222967

IUPAC(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)[C@@H](CC(C)C)NC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H33N3O2/c1-4-10-21-19(24)17(11-14(2)3)22-13-18(23)16(20)12-15-8-6-5-7-9-15/h5-9,14,16-18,22-23H,4,10-13,20H2,1-3H3,(H,21,24)/t16-,17+,18+/m0/s1
InChIKeyBYVKJFQYFOYNJF-RCCFBDPRSA-N
MW335.49 g/mol
LogP1.45
Rot. Bonds11

About (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide

(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide (PubChem CID 175222967) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide
PubChem CID175222967
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)[C@@H](CC(C)C)NC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H33N3O2/c1-4-10-21-19(24)17(11-14(2)3)22-13-18(23)16(20)12-15-8-6-5-7-9-15/h5-9,14,16-18,22-23H,4,10-13,20H2,1-3H3,(H,21,24)/t16-,17+,18+/m0/s1
InChIKeyBYVKJFQYFOYNJF-RCCFBDPRSA-N
XLogP1.45
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide with MolForge

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Related Compounds

(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
2-[[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 151933691
(3R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-N-(2-methylpropyl)hexanamide;dihydrochloride
CID 69361052
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
CID 175450734
(2S)-2-[[(2R,3S)-3-amino-4-phenyl-2-sulfanylbutyl]amino]-4-methylpentanoic acid
CID 14186611
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 121452393
(2S)-2-[[(3S)-3-amino-4-phenyl-2-sulfanylbutyl]amino]-4-methylpentanamide
CID 14186622
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide
CID 13055249
(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide
CID 69359753

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide?
The IUPAC name of (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide (CID 175222967) is (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide.
What is the SMILES notation for (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide?
The canonical SMILES for (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide is CCCNC(=O)[C@@H](CC(C)C)NC[C@@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide?
The InChIKey is BYVKJFQYFOYNJF-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-10-21-19(24)17(11-14(2)3)22-13-18(23)16(20)12-15-8-6-5-7-9-15/h5-9,14,16-18,22-23H,4,10-13,20H2,1-3H3,(H,21,24)/t16-,17+,18+/m0/s1.
What are the key properties of (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide?
(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide has a molecular weight of 335.49 g/mol, XLogP of 1.45, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide is sourced from PubChem (CID 175222967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).