[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid

C15H24N2O3 — CID 68714572

IUPAC[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
SMILESCC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(2)9-17(15(19)20)10-14(18)13(16)8-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyHMEOBNYMCFYRHZ-UONOGXRCSA-N
MW280.37 g/mol
LogP1.55
Rot. Bonds7

About [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid

[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid (PubChem CID 68714572) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid.

Molecular Properties

Compound Name[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
PubChem CID68714572
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
SMILESCC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(2)9-17(15(19)20)10-14(18)13(16)8-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyHMEOBNYMCFYRHZ-UONOGXRCSA-N
XLogP1.55
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)carbamate
CID 59890919
(2S)-3-amino-1-[amino(2-methylpropyl)amino]-4-phenylbutan-2-ol
CID 154522413
(2S,3S)-3-amino-1-[amino(2-methylpropyl)amino]-4-phenylbutan-2-ol
CID 10514918
(2R,3S)-3-amino-1-[N-(2-methylpropyl)anilino]-4-phenylbutan-2-ol
CID 141117226
1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3-tert-butyl-1-(2-methylpropyl)urea;3-tert-butyl-1-[(2S,3S)-2-hydroxy-3-methyl-4-phenylbutyl]-1-(2-methylpropyl)urea;methane;dihydrochloride
CID 161337763
4-amino-N-[(3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 46780138
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-3-tert-butyl-1-(pyridin-4-ylmethyl)urea
CID 10248605
[(2S,3R)-2-amino-3-hydroxy-4-[methyl(sulfinato)amino]butyl]benzene
CID 170444225
3-amino-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)benzenesulfonamide
CID 18731934
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-2-[ethyl(methyl)amino]-N-(2-methylpropyl)-1,3-benzoxazole-6-carboxamide;ethane
CID 143813357

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid?
The IUPAC name of [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid (CID 68714572) is [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid.
What is the SMILES notation for [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid?
The canonical SMILES for [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid is CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O.
What is the InChIKey of [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid?
The InChIKey is HMEOBNYMCFYRHZ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)9-17(15(19)20)10-14(18)13(16)8-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,19,20)/t13-,14+/m0/s1.
What are the key properties of [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid?
[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid has a molecular weight of 280.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid is sourced from PubChem (CID 68714572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).