[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid

C20H26N2O3 — CID 141047745

IUPAC[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-20(2,16-11-7-4-8-12-16)21-14-18(23)17(22-19(24)25)13-15-9-5-3-6-10-15/h3-12,17-18,21-23H,13-14H2,1-2H3,(H,24,25)/t17-,18+/m0/s1
InChIKeyAEURJTJGQCAXQP-ZWKOTPCHSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds8

About [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid

[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid (PubChem CID 141047745) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid
PubChem CID141047745
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-20(2,16-11-7-4-8-12-16)21-14-18(23)17(22-19(24)25)13-15-9-5-3-6-10-15/h3-12,17-18,21-23H,13-14H2,1-2H3,(H,24,25)/t17-,18+/m0/s1
InChIKeyAEURJTJGQCAXQP-ZWKOTPCHSA-N
XLogP2.75
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid
CID 68607763
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]pyridine-4-carboxamide
CID 71717624
[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976
[(2S,3S)-4-(3,3-dimethylbutylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70144987
(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol
CID 164627928
[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 20638367
[(2S,3R)-3-hydroxy-4-[[(3S)-2-hydroxy-3-[[2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamic acid
CID 70051236
[(2S,3S)-3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 69439631
3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(2-phenylpropan-2-ylamino)butan-2-yl]benzene-1,3-dicarboxamide
CID 21085221
[(2S,3R,5S)-5-amino-3-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
CID 67409054
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[2-(3-ethylphenyl)propan-2-ylamino]-3-hydroxybutan-2-yl]acetamide
CID 68539525
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[2-(3-ethylphenyl)propan-2-ylamino]-3-hydroxybutan-2-yl]-2,2-difluoroacetamide
CID 58909372

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid (CID 141047745) is [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid is CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O)c1ccccc1.
What is the InChIKey of [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid?
The InChIKey is AEURJTJGQCAXQP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,16-11-7-4-8-12-16)21-14-18(23)17(22-19(24)25)13-15-9-5-3-6-10-15/h3-12,17-18,21-23H,13-14H2,1-2H3,(H,24,25)/t17-,18+/m0/s1.
What are the key properties of [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid?
[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid has a molecular weight of 342.44 g/mol, XLogP of 2.75, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid is sourced from PubChem (CID 141047745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).