ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

C12H22N2O3 — CID 62028384

IUPACethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-5-17-12(16)10-7-6-8-14(10)9(2)11(15)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWHYCKDXPBKZQCM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.49
Rot. Bonds4

About ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (PubChem CID 62028384) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
PubChem CID62028384
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-5-17-12(16)10-7-6-8-14(10)9(2)11(15)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWHYCKDXPBKZQCM-UHFFFAOYSA-N
XLogP0.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
2-(2-acetylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 63846538
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate
CID 99604248
tert-butyl (2S)-1-(1-ethoxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylate
CID 115537254
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (CID 62028384) is ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(C)C(=O)N(C)C.
What is the InChIKey of ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is WHYCKDXPBKZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-17-12(16)10-7-6-8-14(10)9(2)11(15)13(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).