N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide

C8H16N2O2 — CID 139628744

IUPACN-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide
SMILESCO[C@@H]1CNC[C@H]1CNC(C)=O
InChIInChI=1S/C8H16N2O2/c1-6(11)10-4-7-3-9-5-8(7)12-2/h7-9H,3-5H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyJFAANVXWBIXCST-JGVFFNPUSA-N
MW172.23 g/mol
LogP-0.64
Rot. Bonds3

About N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide

N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide (PubChem CID 139628744) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide
PubChem CID139628744
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide
SMILESCO[C@@H]1CNC[C@H]1CNC(C)=O
InChIInChI=1S/C8H16N2O2/c1-6(11)10-4-7-3-9-5-8(7)12-2/h7-9H,3-5H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyJFAANVXWBIXCST-JGVFFNPUSA-N
XLogP-0.64
TPSA50.36 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 ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide (CID 139628744) is N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide is CO[C@@H]1CNC[C@H]1CNC(C)=O.
What is the InChIKey of N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide?
The InChIKey is JFAANVXWBIXCST-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(11)10-4-7-3-9-5-8(7)12-2/h7-9H,3-5H2,1-2H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide?
N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-4-methoxypyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 139628744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).