(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile

C11H14N2O — CID 70364729

IUPAC(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
SMILESN#CC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H14N2O/c12-7-6-11(14)10(13)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6,8,13H2/t10-,11+/m0/s1
InChIKeyDQKMXMFZOJITAL-WDEREUQCSA-N
MW190.25 g/mol
LogP0.83
Rot. Bonds4

About (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile

(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile (PubChem CID 70364729) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile.

Molecular Properties

Compound Name(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
PubChem CID70364729
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
SMILESN#CC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H14N2O/c12-7-6-11(14)10(13)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6,8,13H2/t10-,11+/m0/s1
InChIKeyDQKMXMFZOJITAL-WDEREUQCSA-N
XLogP0.83
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(3S)-3-amino-2-benzyl-4-cyanobutanoic acid
CID 70061717
(4R)-4-amino-5-phenylpent-1-yn-3-ol
CID 164658344
(3R)-3-benzyl-4-hydroxybutanenitrile
CID 11126787
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(3S)-2,3-dihydroxy-4-phenylbutanenitrile
CID 130918257
3,4-diamino-1-phenylbutan-2-ol
CID 66646271
(3S,4S)-4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-5-phenylpentanenitrile
CID 70392189
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile?
The IUPAC name of (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile (CID 70364729) is (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile.
What is the SMILES notation for (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile?
The canonical SMILES for (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile is N#CC[C@@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile?
The InChIKey is DQKMXMFZOJITAL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14N2O/c12-7-6-11(14)10(13)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6,8,13H2/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile?
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile has a molecular weight of 190.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile is sourced from PubChem (CID 70364729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).