(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol

C16H21N3O — CID 68608574

IUPAC(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccn1
InChIInChI=1S/C16H21N3O/c17-15(10-13-6-2-1-3-7-13)16(20)12-18-11-14-8-4-5-9-19-14/h1-9,15-16,18,20H,10-12,17H2/t15-,16+/m0/s1
InChIKeyOVJRULNCLGNRBP-JKSUJKDBSA-N
MW271.36 g/mol
LogP1.10
Rot. Bonds7

About (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol

(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol (PubChem CID 68608574) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
PubChem CID68608574
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccn1
InChIInChI=1S/C16H21N3O/c17-15(10-13-6-2-1-3-7-13)16(20)12-18-11-14-8-4-5-9-19-14/h1-9,15-16,18,20H,10-12,17H2/t15-,16+/m0/s1
InChIKeyOVJRULNCLGNRBP-JKSUJKDBSA-N
XLogP1.10
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2S)-3-amino-4-phenyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 142662312
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
tert-butyl N-[3-hydroxy-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 59167048
(2R,3S)-3-amino-1-[(4-chlorophenyl)methylamino]-4-phenylbutan-2-ol
CID 68609022
(2S)-3-amino-1-[(4-methylphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662276
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol
CID 68890620
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015
(2R,3S)-3-amino-1-[(3,4-dimethylphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608839
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
(2R,3S)-3-amino-1-[(3-tert-butylphenyl)methylamino]-4-phenylbutan-2-ol
CID 59569831

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol (CID 68608574) is (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccn1.
What is the InChIKey of (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol?
The InChIKey is OVJRULNCLGNRBP-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H21N3O/c17-15(10-13-6-2-1-3-7-13)16(20)12-18-11-14-8-4-5-9-19-14/h1-9,15-16,18,20H,10-12,17H2/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol?
(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 68608574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).