1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

C12H21N3O3 — CID 70814792

IUPAC1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)C1CCOC1
InChIInChI=1S/C12H21N3O3/c1-14-11(16)9-3-2-5-15(9)12(17)10(13)8-4-6-18-7-8/h8-10H,2-7,13H2,1H3,(H,14,16)
InChIKeySKOWWMWKTILFIS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.91
Rot. Bonds3

About 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 70814792) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID70814792
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)C1CCOC1
InChIInChI=1S/C12H21N3O3/c1-14-11(16)9-3-2-5-15(9)12(17)10(13)8-4-6-18-7-8/h8-10H,2-7,13H2,1H3,(H,14,16)
InChIKeySKOWWMWKTILFIS-UHFFFAOYSA-N
XLogP-0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (CID 70814792) is 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(N)C1CCOC1.
What is the InChIKey of 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is SKOWWMWKTILFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-14-11(16)9-3-2-5-15(9)12(17)10(13)8-4-6-18-7-8/h8-10H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70814792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).