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

Pyroglutamate
CID 5289118
L-Prolylglycine
CID 6426709
Gln-Gly
CID 6992691
L-prolinylglycine zwitterion
CID 7408076
5-oxo-L-prolyl-L-glutamine
CID 11010621
Gln-Ala
CID 9813211
N-(Hydroxy(pyrrolidin-2-yl)methylidene)alanine
CID 418041
5-Oxopyrrolidine-2-carboxamide
CID 220461
5-Oxoprolinate
CID 21226158
(S)-5-Oxopyrrolidine-2-carboxamide
CID 444439
5-Oxo-L-prolylglycine
CID 152981
L-Prolyl-L-alanine
CID 6347578

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).