N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide

C9H18N2O3 — CID 135056543

IUPACN-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
SMILESCC[C@H]1NC(CNC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O3/c1-3-6-8(13)9(14)7(11-6)4-10-5(2)12/h6-9,11,13-14H,3-4H2,1-2H3,(H,10,12)/t6-,7?,8-,9-/m1/s1
InChIKeyHBLARVHLMSVDCQ-CWWFFFCGSA-N
MW202.25 g/mol
LogP-1.41
Rot. Bonds3

About N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide

N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide (PubChem CID 135056543) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
PubChem CID135056543
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
SMILESCC[C@H]1NC(CNC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18N2O3/c1-3-6-8(13)9(14)7(11-6)4-10-5(2)12/h6-9,11,13-14H,3-4H2,1-2H3,(H,10,12)/t6-,7?,8-,9-/m1/s1
InChIKeyHBLARVHLMSVDCQ-CWWFFFCGSA-N
XLogP-1.41
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methylpiperidin-2-yl)methyl)acetamide
CID 10889373
N-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 46228103
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 11298651
2-Acetamido-1,4-imino-1,2,4-trideoxy-L-arabinitol
CID 16726082
N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181192
N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-1-ium-2-yl]methyl]acetamide
CID 72199693
N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 16726083
N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]ethyl]acetamide
CID 44456790
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-methyl-pyrrolidin-2-yl]methyl]acetamide
CID 10704029
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxy-acetamide
CID 15959250
N-[[(2R,3R,4R,5R)-1-hexyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 15959284
N-[[(2R,3R,4R,5R)-1-heptyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 15959285

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide (CID 135056543) is N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide is CC[C@H]1NC(CNC(C)=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide?
The InChIKey is HBLARVHLMSVDCQ-CWWFFFCGSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-6-8(13)9(14)7(11-6)4-10-5(2)12/h6-9,11,13-14H,3-4H2,1-2H3,(H,10,12)/t6-,7?,8-,9-/m1/s1.
What are the key properties of N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide?
N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide has a molecular weight of 202.25 g/mol, XLogP of -1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 135056543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).