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

C7H9N2O4- — CID 11902929

IUPAC2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
SMILESO=C([O-])CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H10N2O4/c10-5-2-1-4(9-5)7(13)8-3-6(11)12/h4H,1-3H2,(H,8,13)(H,9,10)(H,11,12)/p-1/t4-/m0/s1
InChIKeyHLPLTUJPJMFPMP-BYPYZUCNSA-M
MW185.16 g/mol
LogP-2.87
Rot. Bonds3

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

2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate (PubChem CID 11902929) has the molecular formula C7H9N2O4- and a molecular weight of 185.16 g/mol. Its IUPAC name is 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
PubChem CID11902929
Molecular FormulaC7H9N2O4-
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
SMILESO=C([O-])CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H10N2O4/c10-5-2-1-4(9-5)7(13)8-3-6(11)12/h4H,1-3H2,(H,8,13)(H,9,10)(H,11,12)/p-1/t4-/m0/s1
InChIKeyHLPLTUJPJMFPMP-BYPYZUCNSA-M
XLogP-2.87
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 5-2.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 131100347
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
(2S)-N-(3-amino-2,2-difluoropropyl)-5-oxopyrrolidine-2-carboxamide
CID 104954938
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
(2S)-5-oxopyrrolidine-2-carboxylate
CID 5289118

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate (CID 11902929) is 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate is O=C([O-])CNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is HLPLTUJPJMFPMP-BYPYZUCNSA-M. The full InChI is InChI=1S/C7H10N2O4/c10-5-2-1-4(9-5)7(13)8-3-6(11)12/h4H,1-3H2,(H,8,13)(H,9,10)(H,11,12)/p-1/t4-/m0/s1.
What are the key properties of 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate?
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 185.16 g/mol, XLogP of -2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 11902929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).