(4R)-4-amino-5-phenylpent-1-yn-3-ol

C11H13NO — CID 164658344

IUPAC(4R)-4-amino-5-phenylpent-1-yn-3-ol
SMILESC#CC(O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h1,3-7,10-11,13H,8,12H2/t10-,11?/m1/s1
InChIKeyZJKQQYLNSHLAFE-NFJWQWPMSA-N
MW175.23 g/mol
LogP0.55
Rot. Bonds3

About (4R)-4-amino-5-phenylpent-1-yn-3-ol

(4R)-4-amino-5-phenylpent-1-yn-3-ol (PubChem CID 164658344) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (4R)-4-amino-5-phenylpent-1-yn-3-ol.

Molecular Properties

Compound Name(4R)-4-amino-5-phenylpent-1-yn-3-ol
PubChem CID164658344
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(4R)-4-amino-5-phenylpent-1-yn-3-ol
SMILESC#CC(O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h1,3-7,10-11,13H,8,12H2/t10-,11?/m1/s1
InChIKeyZJKQQYLNSHLAFE-NFJWQWPMSA-N
XLogP0.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenylpent-4-yne-2,3-diol
CID 54350652
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
CID 28820182
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-phenylpent-1-yn-3-ol?
The IUPAC name of (4R)-4-amino-5-phenylpent-1-yn-3-ol (CID 164658344) is (4R)-4-amino-5-phenylpent-1-yn-3-ol.
What is the SMILES notation for (4R)-4-amino-5-phenylpent-1-yn-3-ol?
The canonical SMILES for (4R)-4-amino-5-phenylpent-1-yn-3-ol is C#CC(O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (4R)-4-amino-5-phenylpent-1-yn-3-ol?
The InChIKey is ZJKQQYLNSHLAFE-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h1,3-7,10-11,13H,8,12H2/t10-,11?/m1/s1.
What are the key properties of (4R)-4-amino-5-phenylpent-1-yn-3-ol?
(4R)-4-amino-5-phenylpent-1-yn-3-ol has a molecular weight of 175.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-phenylpent-1-yn-3-ol is sourced from PubChem (CID 164658344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).