N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide

C8H16N2O4 — CID 25181193

IUPACN-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16N2O4/c1-4(12)9-2-5-7(13)8(14)6(3-11)10-5/h5-8,10-11,13-14H,2-3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m0/s1
InChIKeyUQEQPFWCYJXMDK-XAMCCFCMSA-N
MW204.23 g/mol
LogP-2.82
Rot. Bonds3

About N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide

N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 25181193) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID25181193
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC NameN-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16N2O4/c1-4(12)9-2-5-7(13)8(14)6(3-11)10-5/h5-8,10-11,13-14H,2-3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m0/s1
InChIKeyUQEQPFWCYJXMDK-XAMCCFCMSA-N
XLogP-2.82
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
CID 53432038
N-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-methylbutanamide
CID 144581192
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
N-[2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethyl]acetamide
CID 68719942
(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 46188189
N-[[(2S,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
CID 131052722
N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 22867730
methyl 3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)piperidine-2-carboxylate
CID 71226736
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-1-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 90044302
N-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]acetamide
CID 146048184
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide (CID 25181193) is N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is UQEQPFWCYJXMDK-XAMCCFCMSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4(12)9-2-5-7(13)8(14)6(3-11)10-5/h5-8,10-11,13-14H,2-3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m0/s1.
What are the key properties of N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide?
N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 204.23 g/mol, XLogP of -2.82, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 25181193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).