(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid

C8H14N2O4 — CID 135304476

IUPAC(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
SMILESCN(C)C(=O)O[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-9(2)8(13)14-6-3-4-10(5-6)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyQDKDGPSGGFOLEA-LURJTMIESA-N
MW202.21 g/mol
LogP0.44
Rot. Bonds1

About (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid

(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid (PubChem CID 135304476) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
PubChem CID135304476
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
SMILESCN(C)C(=O)O[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-9(2)8(13)14-6-3-4-10(5-6)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyQDKDGPSGGFOLEA-LURJTMIESA-N
XLogP0.44
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-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-(3-ethoxyprop-2-enoyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
CID 136548040
cyclopropyl N,N-dimethylcarbamate
CID 91507793
[(3S)-1-(3-chloro-4-methylthiophene-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
CID 164631279
(1-ethylpiperidin-3-yl) N,N-dimethylcarbamate
CID 45091641
3-[(2R)-1-amino-1-oxopropan-2-yl]oxypyrrolidine-1-carboxylic acid
CID 141278051
(3S)-3-(imidazole-1-carbonyloxy)pyrrolidine-1-carboxylic acid
CID 70886432
4-carbonochloridoyloxypiperidine-1-carboxylic acid
CID 146453029
[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069
[1-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)carbamoyl]pyrrolidin-3-yl] N,N-dimethylcarbamate
CID 167812670
(3S)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
CID 87292695
(3R)-3-(2,2-dimethylpropylsulfonyloxy)pyrrolidine-1-carboxylic acid
CID 87292136
3-acetyloxyazetidine-1-carboxylic acid
CID 66685797

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid (CID 135304476) is (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid is CN(C)C(=O)O[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
The InChIKey is QDKDGPSGGFOLEA-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O4/c1-9(2)8(13)14-6-3-4-10(5-6)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid?
(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 135304476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).