2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol

C19H34N2O4 — CID 158220151

IUPAC2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol
SMILESCC/C(=C/C1C(O)C(CC2C(O)C(/C=C(/CC)NC)C2O)C1O)NC
InChIInChI=1S/C19H34N2O4/c1-5-10(20-3)7-12-16(22)14(17(12)23)9-15-18(24)13(19(15)25)8-11(6-2)21-4/h7-8,12-25H,5-6,9H2,1-4H3/b10-7-,11-8-
InChIKeyABHCGNPXYPPYCV-DEFDFUCDSA-N
MW354.49 g/mol
LogP0.34
Rot. Bonds8

About 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol

2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol (PubChem CID 158220151) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol.

Molecular Properties

Compound Name2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol
PubChem CID158220151
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol
SMILESCC/C(=C/C1C(O)C(CC2C(O)C(/C=C(/CC)NC)C2O)C1O)NC
InChIInChI=1S/C19H34N2O4/c1-5-10(20-3)7-12-16(22)14(17(12)23)9-15-18(24)13(19(15)25)8-11(6-2)21-4/h7-8,12-25H,5-6,9H2,1-4H3/b10-7-,11-8-
InChIKeyABHCGNPXYPPYCV-DEFDFUCDSA-N
XLogP0.34
TPSA104.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 50.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol?
The IUPAC name of 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol (CID 158220151) is 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol.
What is the SMILES notation for 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol?
The canonical SMILES for 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol is CC/C(=C/C1C(O)C(CC2C(O)C(/C=C(/CC)NC)C2O)C1O)NC.
What is the InChIKey of 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol?
The InChIKey is ABHCGNPXYPPYCV-DEFDFUCDSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-5-10(20-3)7-12-16(22)14(17(12)23)9-15-18(24)13(19(15)25)8-11(6-2)21-4/h7-8,12-25H,5-6,9H2,1-4H3/b10-7-,11-8-.
What are the key properties of 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol?
2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol has a molecular weight of 354.49 g/mol, XLogP of 0.34, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-dihydroxy-3-[(Z)-2-(methylamino)but-1-enyl]cyclobutyl]methyl]-4-[(Z)-2-(methylamino)but-1-enyl]cyclobutane-1,3-diol is sourced from PubChem (CID 158220151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).