(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride

C15H25ClN2O2 — CID 90675069

IUPAC(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride
SMILESCC(C)CCNC(=O)[C@@H](O)[C@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12;/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19);1H/t13-,14+;/m1./s1
InChIKeyYCDHTKFOCMJBRO-DFQHDRSWSA-N
MW300.83 g/mol
LogP1.50
Rot. Bonds7

About (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride

(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride (PubChem CID 90675069) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride
PubChem CID90675069
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride
SMILESCC(C)CCNC(=O)[C@@H](O)[C@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12;/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19);1H/t13-,14+;/m1./s1
InChIKeyYCDHTKFOCMJBRO-DFQHDRSWSA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride (CID 90675069) is (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride is CC(C)CCNC(=O)[C@@H](O)[C@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride?
The InChIKey is YCDHTKFOCMJBRO-DFQHDRSWSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12;/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19);1H/t13-,14+;/m1./s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride?
(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride is sourced from PubChem (CID 90675069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).