N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide

C17H28N2O6 — CID 40777887

IUPACN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCOC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H28N2O6/c1-24-9-11-3-2-6-19(11)14(20)7-12-15(21)16(22)13(25-12)8-18-17(23)10-4-5-10/h10-13,15-16,21-22H,2-9H2,1H3,(H,18,23)/t11-,12+,13-,15+,16-/m1/s1
InChIKeyPRLFRVMPOKICTG-HDNYOTOHSA-N
MW356.42 g/mol
LogP-0.97
Rot. Bonds7

About N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 40777887) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID40777887
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCOC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H28N2O6/c1-24-9-11-3-2-6-19(11)14(20)7-12-15(21)16(22)13(25-12)8-18-17(23)10-4-5-10/h10-13,15-16,21-22H,2-9H2,1H3,(H,18,23)/t11-,12+,13-,15+,16-/m1/s1
InChIKeyPRLFRVMPOKICTG-HDNYOTOHSA-N
XLogP-0.97
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide (CID 40777887) is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide is COC[C@H]1CCCN1C(=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)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is PRLFRVMPOKICTG-HDNYOTOHSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-24-9-11-3-2-6-19(11)14(20)7-12-15(21)16(22)13(25-12)8-18-17(23)10-4-5-10/h10-13,15-16,21-22H,2-9H2,1H3,(H,18,23)/t11-,12+,13-,15+,16-/m1/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 356.42 g/mol, XLogP of -0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 40777887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).