1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H22N2O5 — CID 61439519

IUPAC1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-14(8-10-4-3-5-20-10)13(19)15-7-9(16)6-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyMIWGXCUXZRTJNN-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.13
Rot. Bonds4

About 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61439519) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61439519
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-14(8-10-4-3-5-20-10)13(19)15-7-9(16)6-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyMIWGXCUXZRTJNN-UHFFFAOYSA-N
XLogP0.13
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 54998325
1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113468851
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720413
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 61439374
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
(2S)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79386472
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617844
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61439282
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 61439519) is 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCN(CC1CCCO1)C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is MIWGXCUXZRTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-14(8-10-4-3-5-20-10)13(19)15-7-9(16)6-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61439519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).