[(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid

C20H24N2O4 — CID 70145391

IUPAC[(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C20H24N2O4/c23-17-11-14-8-4-5-9-15(14)19(17)21-12-18(24)16(22-20(25)26)10-13-6-2-1-3-7-13/h1-9,16-19,21-24H,10-12H2,(H,25,26)/t16-,17-,18+,19+/m0/s1
InChIKeyBSNVOUNIIWNBFE-INDMIFKZSA-N
MW356.42 g/mol
LogP1.47
Rot. Bonds7

About [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid

[(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid (PubChem CID 70145391) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid
PubChem CID70145391
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C20H24N2O4/c23-17-11-14-8-4-5-9-15(14)19(17)21-12-18(24)16(22-20(25)26)10-13-6-2-1-3-7-13/h1-9,16-19,21-24H,10-12H2,(H,25,26)/t16-,17-,18+,19+/m0/s1
InChIKeyBSNVOUNIIWNBFE-INDMIFKZSA-N
XLogP1.47
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
tert-butyl N-[(2S,3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 71519823
[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 20638367
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
[(2S,3S)-3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 69439631
[(2S,3S)-4-(3,3-dimethylbutylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70144987
[(2S,3S)-4-(cyclohexyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 87741183
tert-butyl-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]butan-2-yl]carbamic acid
CID 69422913
[(2S,3R)-3-hydroxy-1-phenyl-4-(4-phenylbutylamino)butan-2-yl]carbamic acid
CID 68608862
[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid
CID 141047745
tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(3-hydroxypropyl)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CID 5479360

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid (CID 70145391) is [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid is O=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid?
The InChIKey is BSNVOUNIIWNBFE-INDMIFKZSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-17-11-14-8-4-5-9-15(14)19(17)21-12-18(24)16(22-20(25)26)10-13-6-2-1-3-7-13/h1-9,16-19,21-24H,10-12H2,(H,25,26)/t16-,17-,18+,19+/m0/s1.
What are the key properties of [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid?
[(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid has a molecular weight of 356.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxy-4-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-phenylbutan-2-yl]carbamic acid is sourced from PubChem (CID 70145391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).