methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate

C13H24N2O3 — CID 112730779

IUPACmethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
SMILESCCN(CC)C(=O)C(C)N1CCC(C(=O)OC)C1
InChIInChI=1S/C13H24N2O3/c1-5-14(6-2)12(16)10(3)15-8-7-11(9-15)13(17)18-4/h10-11H,5-9H2,1-4H3
InChIKeyZLRXNVLTYFSSJQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds5

About methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate

methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate (PubChem CID 112730779) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
PubChem CID112730779
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
SMILESCCN(CC)C(=O)C(C)N1CCC(C(=O)OC)C1
InChIInChI=1S/C13H24N2O3/c1-5-14(6-2)12(16)10(3)15-8-7-11(9-15)13(17)18-4/h10-11H,5-9H2,1-4H3
InChIKeyZLRXNVLTYFSSJQ-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718783
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
N,N-diethyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499097
2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 79867648
N,N-diethyl-2-[4-(ethylamino)-3-methylpiperidin-1-yl]propanamide
CID 114499277
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate (CID 112730779) is methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate is CCN(CC)C(=O)C(C)N1CCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
The InChIKey is ZLRXNVLTYFSSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-14(6-2)12(16)10(3)15-8-7-11(9-15)13(17)18-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112730779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).