3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 102782536

IUPAC3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CCOC2)C1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-2-4-14(10(8)11(15)16)12(17)13-6-9-3-5-18-7-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyIJHALXDDTFYLDT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.53
Rot. Bonds3

About 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 102782536) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID102782536
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CCOC2)C1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-2-4-14(10(8)11(15)16)12(17)13-6-9-3-5-18-7-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyIJHALXDDTFYLDT-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-ylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781928
1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781779
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 62823489
3-methyl-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241224
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
2-methyl-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 79383290
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
3-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782998
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071372
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
3-methyl-1-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782999
(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide
CID 95155057

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 102782536) is 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)NCC2CCOC2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IJHALXDDTFYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-2-4-14(10(8)11(15)16)12(17)13-6-9-3-5-18-7-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).