(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide

C8H16N2O3 — CID 90936720

IUPAC(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC(OC)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C8H16N2O3/c1-12-7(13-2)6-4-3-5-10(6)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-/m0/s1
InChIKeyQJWOFOYFNKHCPY-LURJTMIESA-N
MW188.23 g/mol
LogP0.15
Rot. Bonds3

About (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide

(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 90936720) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
PubChem CID90936720
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC(OC)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C8H16N2O3/c1-12-7(13-2)6-4-3-5-10(6)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-/m0/s1
InChIKeyQJWOFOYFNKHCPY-LURJTMIESA-N
XLogP0.15
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide (CID 90936720) is (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide is COC(OC)[C@@H]1CCCN1C(N)=O.
What is the InChIKey of (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is QJWOFOYFNKHCPY-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-7(13-2)6-4-3-5-10(6)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide?
(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 90936720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).