(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide

C6H12N2O4 — CID 102337626

IUPAC(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12N2O4/c7-6(12)3-5(11)4(10)2(1-9)8-3/h2-5,8-11H,1H2,(H2,7,12)/t2-,3+,4+,5+/m0/s1
InChIKeyKULXPOIASDYFDY-NRXMZTRTSA-N
MW176.17 g/mol
LogP-3.47
Rot. Bonds2

About (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide

(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide (PubChem CID 102337626) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
PubChem CID102337626
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12N2O4/c7-6(12)3-5(11)4(10)2(1-9)8-3/h2-5,8-11H,1H2,(H2,7,12)/t2-,3+,4+,5+/m0/s1
InChIKeyKULXPOIASDYFDY-NRXMZTRTSA-N
XLogP-3.47
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-3.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide (CID 102337626) is (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
The InChIKey is KULXPOIASDYFDY-NRXMZTRTSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-6(12)3-5(11)4(10)2(1-9)8-3/h2-5,8-11H,1H2,(H2,7,12)/t2-,3+,4+,5+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide has a molecular weight of 176.17 g/mol, XLogP of -3.47, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102337626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).