N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane

C17H38N2O6 — CID 167655560

IUPACN-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane
SMILESCC.CC.CCC(O)C(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC)[C@H](OC)C1O
InChIInChI=1S/C13H26N2O6.2C2H6/c1-4-8(16)10(18)13(19)15-7-5-6(14)11(20-2)12(21-3)9(7)17;2*1-2/h6-12,16-18H,4-5,14H2,1-3H3,(H,15,19);2*1-2H3/t6-,7+,8?,9?,10?,11+,12+;;/m0../s1
InChIKeyREZAPKMTDXHGDH-HAWIFBMCSA-N
MW366.50 g/mol
LogP-0.22
Rot. Bonds6

About N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane

N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane (PubChem CID 167655560) has the molecular formula C17H38N2O6 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane.

Molecular Properties

Compound NameN-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane
PubChem CID167655560
Molecular FormulaC17H38N2O6
Molecular Weight366.50 g/mol
Exact Mass366.27
IUPAC NameN-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane
SMILESCC.CC.CCC(O)C(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC)[C@H](OC)C1O
InChIInChI=1S/C13H26N2O6.2C2H6/c1-4-8(16)10(18)13(19)15-7-5-6(14)11(20-2)12(21-3)9(7)17;2*1-2/h6-12,16-18H,4-5,14H2,1-3H3,(H,15,19);2*1-2H3/t6-,7+,8?,9?,10?,11+,12+;;/m0../s1
InChIKeyREZAPKMTDXHGDH-HAWIFBMCSA-N
XLogP-0.22
TPSA134.27 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 5-0.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane?
The IUPAC name of N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane (CID 167655560) is N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane.
What is the SMILES notation for N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane?
The canonical SMILES for N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane is CC.CC.CCC(O)C(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC)[C@H](OC)C1O.
What is the InChIKey of N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane?
The InChIKey is REZAPKMTDXHGDH-HAWIFBMCSA-N. The full InChI is InChI=1S/C13H26N2O6.2C2H6/c1-4-8(16)10(18)13(19)15-7-5-6(14)11(20-2)12(21-3)9(7)17;2*1-2/h6-12,16-18H,4-5,14H2,1-3H3,(H,15,19);2*1-2H3/t6-,7+,8?,9?,10?,11+,12+;;/m0../s1.
What are the key properties of N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane?
N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane has a molecular weight of 366.50 g/mol, XLogP of -0.22, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane is sourced from PubChem (CID 167655560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).