ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate

C11H20N2O3 — CID 64662468

IUPACethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1C(N)=O
InChIInChI=1S/C11H20N2O3/c1-3-8(11(15)16-4-2)13-7-5-6-9(13)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14)
InChIKeyVHZLUHPNLVJULR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.28
Rot. Bonds5

About ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate

ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate (PubChem CID 64662468) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
PubChem CID64662468
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC1C(N)=O
InChIInChI=1S/C11H20N2O3/c1-3-8(11(15)16-4-2)13-7-5-6-9(13)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14)
InChIKeyVHZLUHPNLVJULR-UHFFFAOYSA-N
XLogP0.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate
CID 64663491
ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
CID 64662882
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
ethyl 2-(2-propan-2-ylpyrrolidin-1-yl)pentanoate
CID 83041509
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
1-[(3S)-1-(2-methoxyethylamino)-1,2-dioxopentan-3-yl]pyrrolidine-2-carboxamide
CID 140608873
ethyl 2-(2-cyanopiperidin-1-yl)butanoate
CID 64661949
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
CID 64663187
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide
CID 62037047
ethyl 2-[2-(2-oxopropyl)azepan-1-yl]butanoate
CID 79560859
ethyl 2-(4-carbamothioylpiperidin-1-yl)butanoate
CID 64662354

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate (CID 64662468) is ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate is CCOC(=O)C(CC)N1CCCC1C(N)=O.
What is the InChIKey of ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate?
The InChIKey is VHZLUHPNLVJULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(11(15)16-4-2)13-7-5-6-9(13)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate?
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 64662468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).