ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate

C9H14N2O4 — CID 18652750

IUPACethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H14N2O4/c1-2-15-8(13)5-10-9(14)6-3-4-7(12)11-6/h6H,2-5H2,1H3,(H,10,14)(H,11,12)/t6-/m0/s1
InChIKeyPILGMMULXVLWKV-LURJTMIESA-N
MW214.22 g/mol
LogP-1.06
Rot. Bonds4

About ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate

ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate (PubChem CID 18652750) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
PubChem CID18652750
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H14N2O4/c1-2-15-8(13)5-10-9(14)6-3-4-7(12)11-6/h6H,2-5H2,1H3,(H,10,14)(H,11,12)/t6-/m0/s1
InChIKeyPILGMMULXVLWKV-LURJTMIESA-N
XLogP-1.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-oxo-L-prolinate
CID 2724446
Butyl 5-oxo-L-prolinate
CID 107609
Butyl 5-oxopyrrolidine-2-carboxylate
CID 4460732
5-Oxoproline ethyl ester
CID 98047
ethyl (2R)-5-oxopyrrolidine-2-carboxylate
CID 643508
H-Ala-Gly-Pro-Ala-OMe
CID 155536309
H-Ala-Gly-Pro-Ala-Gly-OMe
CID 155536953
1-Boc-2-(2-methoxy-2-oxoethylcarbamoyl)pyrrolidine
CID 292449
5-Oxo-L-prolylglycine
CID 152981
Isopropyl 5-oxo-L-prolinate
CID 14038124
Propyl 5-oxo-L-prolinate
CID 22840775
Isopropyl 5-oxo-DL-prolinate
CID 97590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate (CID 18652750) is ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is PILGMMULXVLWKV-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-15-8(13)5-10-9(14)6-3-4-7(12)11-6/h6H,2-5H2,1H3,(H,10,14)(H,11,12)/t6-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 214.22 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 18652750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).