2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide

C6H12N2O2 — CID 91590285

IUPAC2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C6H12N2O2/c7-6(10)1-4-2-8-3-5(4)9/h4-5,8-9H,1-3H2,(H2,7,10)/t4-,5+/m1/s1
InChIKeyWDAUBFRYDSMPCJ-UHNVWZDZSA-N
MW144.17 g/mol
LogP-1.56
Rot. Bonds2

About 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide

2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide (PubChem CID 91590285) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
PubChem CID91590285
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESNC(=O)C[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C6H12N2O2/c7-6(10)1-4-2-8-3-5(4)9/h4-5,8-9H,1-3H2,(H2,7,10)/t4-,5+/m1/s1
InChIKeyWDAUBFRYDSMPCJ-UHNVWZDZSA-N
XLogP-1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide (CID 91590285) is 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide is NC(=O)C[C@@H]1CNC[C@@H]1O.
What is the InChIKey of 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
The InChIKey is WDAUBFRYDSMPCJ-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-6(10)1-4-2-8-3-5(4)9/h4-5,8-9H,1-3H2,(H2,7,10)/t4-,5+/m1/s1.
What are the key properties of 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide?
2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide has a molecular weight of 144.17 g/mol, XLogP of -1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91590285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).