ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate

C12H22N2O3 — CID 112697824

IUPACethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-4-17-11(15)7-13-12(16)14-6-5-10(8-14)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyRWISYSNJCZMPRS-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.24
Rot. Bonds4

About ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate

ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate (PubChem CID 112697824) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate
PubChem CID112697824
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-4-17-11(15)7-13-12(16)14-6-5-10(8-14)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyRWISYSNJCZMPRS-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
CID 20907546
N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
CID 115695172
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
CID 42193925
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
N,3-di(propan-2-yl)pyrrolidine-1-carboxamide;molecular hydrogen
CID 169182520
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 112629807
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate (CID 112697824) is ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCC(C(C)C)C1.
What is the InChIKey of ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate?
The InChIKey is RWISYSNJCZMPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-11(15)7-13-12(16)14-6-5-10(8-14)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate?
ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 112697824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).