N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide

C8H16N2O3 — CID 67409156

IUPACN-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C
InChIInChI=1S/C8H16N2O3/c1-5(11)9-3-6-8(13)7(12)4-10(6)2/h6-8,12-13H,3-4H2,1-2H3,(H,9,11)/t6-,7-,8+/m0/s1
InChIKeyUQRZFWMDDMMHBZ-BIIVOSGPSA-N
MW188.23 g/mol
LogP-1.84
Rot. Bonds2

About N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide

N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 67409156) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide
PubChem CID67409156
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C
InChIInChI=1S/C8H16N2O3/c1-5(11)9-3-6-8(13)7(12)4-10(6)2/h6-8,12-13H,3-4H2,1-2H3,(H,9,11)/t6-,7-,8+/m0/s1
InChIKeyUQRZFWMDDMMHBZ-BIIVOSGPSA-N
XLogP-1.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide (CID 67409156) is N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C.
What is the InChIKey of N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is UQRZFWMDDMMHBZ-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(11)9-3-6-8(13)7(12)4-10(6)2/h6-8,12-13H,3-4H2,1-2H3,(H,9,11)/t6-,7-,8+/m0/s1.
What are the key properties of N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide?
N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 188.23 g/mol, XLogP of -1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4S)-3,4-dihydroxy-1-methylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 67409156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).