N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

C16H26N2O5 — CID 25390424

IUPACN-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O)NC1CC1
InChIInChI=1S/C16H26N2O5/c19-13(18-10-5-6-10)7-11-14(20)15(21)12(23-11)8-17-16(22)9-3-1-2-4-9/h9-12,14-15,20-21H,1-8H2,(H,17,22)(H,18,19)/t11-,12+,14-,15+/m0/s1
InChIKeyXLUHPLQQVPQCDI-MYZSUADSSA-N
MW326.39 g/mol
LogP-0.55
Rot. Bonds6

About N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 25390424) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID25390424
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O)NC1CC1
InChIInChI=1S/C16H26N2O5/c19-13(18-10-5-6-10)7-11-14(20)15(21)12(23-11)8-17-16(22)9-3-1-2-4-9/h9-12,14-15,20-21H,1-8H2,(H,17,22)(H,18,19)/t11-,12+,14-,15+/m0/s1
InChIKeyXLUHPLQQVPQCDI-MYZSUADSSA-N
XLogP-0.55
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (CID 25390424) is N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is O=C(C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O)NC1CC1.
What is the InChIKey of N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is XLUHPLQQVPQCDI-MYZSUADSSA-N. The full InChI is InChI=1S/C16H26N2O5/c19-13(18-10-5-6-10)7-11-14(20)15(21)12(23-11)8-17-16(22)9-3-1-2-4-9/h9-12,14-15,20-21H,1-8H2,(H,17,22)(H,18,19)/t11-,12+,14-,15+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 326.39 g/mol, XLogP of -0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 25390424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).