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

C11H18N2O4 — CID 62823489

IUPAC1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCC1CCOC1
InChIInChI=1S/C11H18N2O4/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyWYCBAJSNYYECCX-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.28
Rot. Bonds3

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

1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 62823489) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID62823489
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCC1CCOC1
InChIInChI=1S/C11H18N2O4/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyWYCBAJSNYYECCX-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55227623
(2S)-1-(thian-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363940
3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102782536
(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107297606
1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 107414526
1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107297455
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 129341804
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94124343
(2R)-2-(methanesulfonamidomethyl)-N-[[(3S)-oxolan-3-yl]methyl]piperidine-1-carboxamide
CID 95155057

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 62823489) is 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)NCC1CCOC1.
What is the InChIKey of 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WYCBAJSNYYECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h8-9H,1-7H2,(H,12,16)(H,14,15).
What are the key properties of 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62823489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).