[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate

C19H24N2O3 — CID 69257317

IUPAC[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
SMILESNC(=O)O[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H24N2O3/c20-17(12-15-9-5-2-6-10-15)18(22)13-16(24-19(21)23)11-14-7-3-1-4-8-14/h1-10,16-18,22H,11-13,20H2,(H2,21,23)/t16-,17-,18-/m0/s1
InChIKeyWKQUVSADDLUYGE-BZSNNMDCSA-N
MW328.41 g/mol
LogP2.01
Rot. Bonds8

About [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate

[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate (PubChem CID 69257317) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
PubChem CID69257317
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
SMILESNC(=O)O[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H24N2O3/c20-17(12-15-9-5-2-6-10-15)18(22)13-16(24-19(21)23)11-14-7-3-1-4-8-14/h1-10,16-18,22H,11-13,20H2,(H2,21,23)/t16-,17-,18-/m0/s1
InChIKeyWKQUVSADDLUYGE-BZSNNMDCSA-N
XLogP2.01
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
methyl (3S,4S)-4-amino-3-hydroxy-5-phenylpentanoate
CID 14453007
1,5-diphenylpent-4-en-2-yl carbamate
CID 175314051
(2R,4S,5S)-5-amino-2-benzyl-6-(4-fluorophenyl)-4-hydroxyhexanoic acid
CID 22874192
(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide
CID 68898958
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(2R,4S,5S)-5-amino-4-hydroxy-6-(4-phenylmethoxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
CID 22874222
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate?
The IUPAC name of [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate (CID 69257317) is [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate.
What is the SMILES notation for [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate?
The canonical SMILES for [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate is NC(=O)O[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate?
The InChIKey is WKQUVSADDLUYGE-BZSNNMDCSA-N. The full InChI is InChI=1S/C19H24N2O3/c20-17(12-15-9-5-2-6-10-15)18(22)13-16(24-19(21)23)11-14-7-3-1-4-8-14/h1-10,16-18,22H,11-13,20H2,(H2,21,23)/t16-,17-,18-/m0/s1.
What are the key properties of [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate?
[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate has a molecular weight of 328.41 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate is sourced from PubChem (CID 69257317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).