(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one

C9H17NO5 — CID 70927936

IUPAC(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESO=C([C@H](O)[C@H](O)CO)N1CCCC1CO
InChIInChI=1S/C9H17NO5/c11-4-6-2-1-3-10(6)9(15)8(14)7(13)5-12/h6-8,11-14H,1-5H2/t6?,7-,8-/m1/s1
InChIKeyULCIWXVBDIAUEL-SPDVFEMOSA-N
MW219.24 g/mol
LogP-2.32
Rot. Bonds4

About (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one

(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 70927936) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID70927936
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESO=C([C@H](O)[C@H](O)CO)N1CCCC1CO
InChIInChI=1S/C9H17NO5/c11-4-6-2-1-3-10(6)9(15)8(14)7(13)5-12/h6-8,11-14H,1-5H2/t6?,7-,8-/m1/s1
InChIKeyULCIWXVBDIAUEL-SPDVFEMOSA-N
XLogP-2.32
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
2-chloro-2-fluoro-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 166427885
3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 107218030
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 58584459
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
(2R)-2-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 15852898
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 12619538
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one (CID 70927936) is (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one is O=C([C@H](O)[C@H](O)CO)N1CCCC1CO.
What is the InChIKey of (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is ULCIWXVBDIAUEL-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H17NO5/c11-4-6-2-1-3-10(6)9(15)8(14)7(13)5-12/h6-8,11-14H,1-5H2/t6?,7-,8-/m1/s1.
What are the key properties of (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one?
(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 219.24 g/mol, XLogP of -2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 70927936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).