2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide

C8H16N2O2 — CID 174477638

IUPAC2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide
SMILESCC[C@]1(O)CCCN1CC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-8(12)4-3-5-10(8)6-7(9)11/h12H,2-6H2,1H3,(H2,9,11)/t8-/m0/s1
InChIKeyNPEJHODXQRQXER-QMMMGPOBSA-N
MW172.23 g/mol
LogP-0.33
Rot. Bonds3

About 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide

2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 174477638) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide
PubChem CID174477638
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide
SMILESCC[C@]1(O)CCCN1CC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-8(12)4-3-5-10(8)6-7(9)11/h12H,2-6H2,1H3,(H2,9,11)/t8-/m0/s1
InChIKeyNPEJHODXQRQXER-QMMMGPOBSA-N
XLogP-0.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide (CID 174477638) is 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide is CC[C@]1(O)CCCN1CC(N)=O.
What is the InChIKey of 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is NPEJHODXQRQXER-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-8(12)4-3-5-10(8)6-7(9)11/h12H,2-6H2,1H3,(H2,9,11)/t8-/m0/s1.
What are the key properties of 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide?
2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethyl-2-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 174477638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).