[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid

C23H32N2O3 — CID 66832312

IUPAC[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
SMILESCC(C)(C)C(c1ccccc1)[C@H](N)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O
InChIInChI=1S/C23H32N2O3/c1-23(2,3)20(17-12-8-5-9-13-17)21(24)19(26)15-18(25-22(27)28)14-16-10-6-4-7-11-16/h4-13,18-21,25-26H,14-15,24H2,1-3H3,(H,27,28)/t18-,19-,20?,21+/m0/s1
InChIKeyCKQZYCROKBXLJS-WINMLXNCSA-N
MW384.52 g/mol
LogP3.77
Rot. Bonds8

About [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid

[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid (PubChem CID 66832312) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
PubChem CID66832312
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
SMILESCC(C)(C)C(c1ccccc1)[C@H](N)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O
InChIInChI=1S/C23H32N2O3/c1-23(2,3)20(17-12-8-5-9-13-17)21(24)19(26)15-18(25-22(27)28)14-16-10-6-4-7-11-16/h4-13,18-21,25-26H,14-15,24H2,1-3H3,(H,27,28)/t18-,19-,20?,21+/m0/s1
InChIKeyCKQZYCROKBXLJS-WINMLXNCSA-N
XLogP3.77
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R,5S)-5-amino-3-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid
CID 67409054
[(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
[(2S,4S,5S)-4-hydroxy-7,7-dimethyl-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)octan-2-yl]carbamic acid
CID 66832477
[(2S,4S,5S)-5-amino-4-hydroxy-6,7-diphenyl-1-(4-pyridin-2-ylphenyl)heptan-2-yl]carbamic acid
CID 67406953
[(2S,3S,5S)-5-[(2-amino-3-methylbutanoyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamic acid
CID 134262506
[(2S,4S,5S)-4-hydroxy-7,7-dimethyl-5-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenyloctan-2-yl]carbamic acid
CID 67408884
tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
CID 18410258
tert-butyl N-(5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate;2,3-dihydroxybutanedioic acid
CID 19068494
[(2S)-1-[[(2S,3R,5S)-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68792572
4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol
CID 68863509
CID 91289289
CID 91289289
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
CID 69442567

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid?
The IUPAC name of [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid (CID 66832312) is [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid?
The canonical SMILES for [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid is CC(C)(C)C(c1ccccc1)[C@H](N)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)O.
What is the InChIKey of [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid?
The InChIKey is CKQZYCROKBXLJS-WINMLXNCSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-23(2,3)20(17-12-8-5-9-13-17)21(24)19(26)15-18(25-22(27)28)14-16-10-6-4-7-11-16/h4-13,18-21,25-26H,14-15,24H2,1-3H3,(H,27,28)/t18-,19-,20?,21+/m0/s1.
What are the key properties of [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid?
[(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid has a molecular weight of 384.52 g/mol, XLogP of 3.77, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-5-amino-4-hydroxy-7,7-dimethyl-1,6-diphenyloctan-2-yl]carbamic acid is sourced from PubChem (CID 66832312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).