N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

C15H27N3O5 — CID 40781641

IUPACN-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27N3O5/c1-18(2)6-5-16-12(19)7-10-13(20)14(21)11(23-10)8-17-15(22)9-3-4-9/h9-11,13-14,20-21H,3-8H2,1-2H3,(H,16,19)(H,17,22)/t10-,11+,13-,14+/m0/s1
InChIKeyPTVYSJPMVWBKGK-UZGDPCLZSA-N
MW329.40 g/mol
LogP-1.93
Rot. Bonds8

About N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 40781641) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID40781641
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC NameN-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27N3O5/c1-18(2)6-5-16-12(19)7-10-13(20)14(21)11(23-10)8-17-15(22)9-3-4-9/h9-11,13-14,20-21H,3-8H2,1-2H3,(H,16,19)(H,17,22)/t10-,11+,13-,14+/m0/s1
InChIKeyPTVYSJPMVWBKGK-UZGDPCLZSA-N
XLogP-1.93
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (CID 40781641) is N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is PTVYSJPMVWBKGK-UZGDPCLZSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-18(2)6-5-16-12(19)7-10-13(20)14(21)11(23-10)8-17-15(22)9-3-4-9/h9-11,13-14,20-21H,3-8H2,1-2H3,(H,16,19)(H,17,22)/t10-,11+,13-,14+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 329.40 g/mol, XLogP of -1.93, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 40781641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).