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

C9H16N2O3 — CID 175556675

IUPACethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(CC(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)7-3-4-11(5-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyYFYZSDOBFSDNAP-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.64
Rot. Bonds4

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

ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate (PubChem CID 175556675) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
PubChem CID175556675
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(CC(N)=O)C1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)7-3-4-11(5-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyYFYZSDOBFSDNAP-UHFFFAOYSA-N
XLogP-0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(iodomethyl)pyrrolidine-3-carboxylate
CID 151996318
butyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
CID 158385155
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
ethyl 1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxylate
CID 44827929
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-[2-(4-iodopiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 144962699
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
hydroxymethyl 1-ethylpyrrolidine-3-carboxylate;hydrochloride
CID 175341292

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate (CID 175556675) is ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate is CCOC(=O)C1CCN(CC(N)=O)C1.
What is the InChIKey of ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
The InChIKey is YFYZSDOBFSDNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-9(13)7-3-4-11(5-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate?
ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 175556675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).