[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid

C13H19NO4 — CID 69329864

IUPAC[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](CO)CCC(O)Cc1ccccc1
InChIInChI=1S/C13H19NO4/c15-9-11(14-13(17)18)6-7-12(16)8-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2,(H,17,18)/t11-,12?/m1/s1
InChIKeyIFTXGBVAGYGPPS-JHJMLUEUSA-N
MW253.30 g/mol
LogP1.00
Rot. Bonds7

About [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid

[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid (PubChem CID 69329864) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid
PubChem CID69329864
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](CO)CCC(O)Cc1ccccc1
InChIInChI=1S/C13H19NO4/c15-9-11(14-13(17)18)6-7-12(16)8-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2,(H,17,18)/t11-,12?/m1/s1
InChIKeyIFTXGBVAGYGPPS-JHJMLUEUSA-N
XLogP1.00
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-diphenylhexane-2,5-diol
CID 15072586
[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 142645077
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
[(2S,5S)-1-hydroxy-6,6-dimethyl-5-(phenylmethoxycarbonylamino)heptan-2-yl]carbamic acid
CID 86339972
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate
CID 19082099
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid (CID 69329864) is [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid is O=C(O)N[C@@H](CO)CCC(O)Cc1ccccc1.
What is the InChIKey of [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid?
The InChIKey is IFTXGBVAGYGPPS-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H19NO4/c15-9-11(14-13(17)18)6-7-12(16)8-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2,(H,17,18)/t11-,12?/m1/s1.
What are the key properties of [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid?
[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid has a molecular weight of 253.30 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid is sourced from PubChem (CID 69329864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).