N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide

C11H20N2O5 — CID 102220499

IUPACN-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@H](O)[C@H](O)C2[C@H](O)C[C@@H](CO)N21
InChIInChI=1S/C11H20N2O5/c1-5(15)12-3-7-10(17)11(18)9-8(16)2-6(4-14)13(7)9/h6-11,14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7-,8+,9?,10-,11+/m0/s1
InChIKeyMQMFKTWPMVRWJQ-RPMAWNIXSA-N
MW260.29 g/mol
LogP-2.98
Rot. Bonds3

About N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide

N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide (PubChem CID 102220499) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
PubChem CID102220499
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC NameN-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@H](O)[C@H](O)C2[C@H](O)C[C@@H](CO)N21
InChIInChI=1S/C11H20N2O5/c1-5(15)12-3-7-10(17)11(18)9-8(16)2-6(4-14)13(7)9/h6-11,14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7-,8+,9?,10-,11+/m0/s1
InChIKeyMQMFKTWPMVRWJQ-RPMAWNIXSA-N
XLogP-2.98
TPSA113.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-2.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide with MolForge

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Related Compounds

(1S,2S,3S,5S,7S,8S)-5-(hydroxymethyl)-3-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 134861827
N-[[(1R,2R,3R,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
CID 91864564
N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 67409156
(1R,2R,3R,5R,7R,8R)-5-(3-hydroxybutyl)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11254004
N-[[3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 75171674
(2R,3R,4S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 71545444
N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexyl]acetamide
CID 157463961
N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181193
N-[[(2R,3S,4R,5R)-1-benzyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 118404468
N-[[(2R,3R,4S,5R)-1-benzyl-4-fluoro-3-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 90059668
N-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]acetamide
CID 146048184
N-[[(2S,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
CID 131052722

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide (CID 102220499) is N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide is CC(=O)NC[C@H]1[C@H](O)[C@H](O)C2[C@H](O)C[C@@H](CO)N21.
What is the InChIKey of N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide?
The InChIKey is MQMFKTWPMVRWJQ-RPMAWNIXSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5(15)12-3-7-10(17)11(18)9-8(16)2-6(4-14)13(7)9/h6-11,14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7-,8+,9?,10-,11+/m0/s1.
What are the key properties of N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide?
N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide has a molecular weight of 260.29 g/mol, XLogP of -2.98, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,3S,5S,7R)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide is sourced from PubChem (CID 102220499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).