ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate

C12H22N2O4 — CID 63005164

IUPACethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C1CCNC1
InChIInChI=1S/C12H22N2O4/c1-3-18-11(15)9-14(6-7-17-2)12(16)10-4-5-13-8-10/h10,13H,3-9H2,1-2H3
InChIKeyAFDDWZCAVBBPAK-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.37
Rot. Bonds7

About ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate

ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate (PubChem CID 63005164) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate
PubChem CID63005164
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C1CCNC1
InChIInChI=1S/C12H22N2O4/c1-3-18-11(15)9-14(6-7-17-2)12(16)10-4-5-13-8-10/h10,13H,3-9H2,1-2H3
InChIKeyAFDDWZCAVBBPAK-UHFFFAOYSA-N
XLogP-0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-methoxyethyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739397
(3S)-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81141076
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
(3R)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 104861614
2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978387
(3R)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 103338846
N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrrolidine-3-carboxamide
CID 63005457
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
CID 79005878

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate (CID 63005164) is ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)C1CCNC1.
What is the InChIKey of ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate?
The InChIKey is AFDDWZCAVBBPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-18-11(15)9-14(6-7-17-2)12(16)10-4-5-13-8-10/h10,13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate?
ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate has a molecular weight of 258.32 g/mol, XLogP of -0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl(pyrrolidine-3-carbonyl)amino]acetate is sourced from PubChem (CID 63005164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).