(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide

C14H22N2O3 — CID 57148272

IUPAC(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
SMILESCNC(=O)C(CO)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-16-14(19)11(9-17)8-13(18)12(15)7-10-5-3-2-4-6-10/h2-6,11-13,17-18H,7-9,15H2,1H3,(H,16,19)/t11?,12-,13-/m0/s1
InChIKeyVYQMDRFCXFENQH-SPOOISQMSA-N
MW266.34 g/mol
LogP-0.34
Rot. Bonds7

About (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide

(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide (PubChem CID 57148272) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide.

Molecular Properties

Compound Name(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
PubChem CID57148272
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
SMILESCNC(=O)C(CO)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-16-14(19)11(9-17)8-13(18)12(15)7-10-5-3-2-4-6-10/h2-6,11-13,17-18H,7-9,15H2,1H3,(H,16,19)/t11?,12-,13-/m0/s1
InChIKeyVYQMDRFCXFENQH-SPOOISQMSA-N
XLogP-0.34
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
methyl (3S,4S)-4-amino-3-hydroxy-5-phenylpentanoate
CID 14453007
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2R,4S,5S)-5-amino-2-benzyl-6-(4-fluorophenyl)-4-hydroxyhexanoic acid
CID 22874192
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
CID 69257317
[(2S)-1-[[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68792623
(2R,4S,5S)-5-amino-4-hydroxy-6-(4-phenylmethoxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
CID 22874222
5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide
CID 68900563
(2R,4S,5S)-5-amino-4-hydroxy-6-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]hexanoic acid
CID 22874196

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide?
The IUPAC name of (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide (CID 57148272) is (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide.
What is the SMILES notation for (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide?
The canonical SMILES for (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide is CNC(=O)C(CO)C[C@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide?
The InChIKey is VYQMDRFCXFENQH-SPOOISQMSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16-14(19)11(9-17)8-13(18)12(15)7-10-5-3-2-4-6-10/h2-6,11-13,17-18H,7-9,15H2,1H3,(H,16,19)/t11?,12-,13-/m0/s1.
What are the key properties of (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide?
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide has a molecular weight of 266.34 g/mol, XLogP of -0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide is sourced from PubChem (CID 57148272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).