butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate

C11H20N2O3 — CID 158385155

IUPACbutyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
SMILESCCCCOC(=O)C1CCN(CC(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-2-3-6-16-11(15)9-4-5-13(7-9)8-10(12)14/h9H,2-8H2,1H3,(H2,12,14)
InChIKeyGWGWFSZCAJRJKD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.14
Rot. Bonds6

About butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate

butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate (PubChem CID 158385155) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebutyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
PubChem CID158385155
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namebutyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
SMILESCCCCOC(=O)C1CCN(CC(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-2-3-6-16-11(15)9-4-5-13(7-9)8-10(12)14/h9H,2-8H2,1H3,(H2,12,14)
InChIKeyGWGWFSZCAJRJKD-UHFFFAOYSA-N
XLogP0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
CID 175556675
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
3-O-butyl 1-O-tert-butyl (3S)-pyrrolidine-1,3-dicarboxylate
CID 71154758
ethyl 1-(iodomethyl)pyrrolidine-3-carboxylate
CID 151996318
butyl 4-carbonofluoridoylcyclohexane-1-carboxylate
CID 155468002
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
hydroxymethyl 1-ethylpyrrolidine-3-carboxylate;hydrochloride
CID 175341292
pentadecyl cyclopropanecarboxylate
CID 560133
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073

Frequently Asked Questions

What is the IUPAC name of butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
The IUPAC name of butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate (CID 158385155) is butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate is CCCCOC(=O)C1CCN(CC(N)=O)C1.
What is the InChIKey of butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
The InChIKey is GWGWFSZCAJRJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-6-16-11(15)9-4-5-13(7-9)8-10(12)14/h9H,2-8H2,1H3,(H2,12,14).
What are the key properties of butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 158385155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).