methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate

C9H14N2O5 — CID 12042452

IUPACmethyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H14N2O5/c1-16-9(15)6(4-12)11-8(14)5-2-3-7(13)10-5/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14)/t5-,6-/m0/s1
InChIKeyZIJNZKODBZPUFG-WDSKDSINSA-N
MW230.22 g/mol
LogP-2.08
Rot. Bonds4

About methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate

methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 12042452) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate
PubChem CID12042452
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Namemethyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H14N2O5/c1-16-9(15)6(4-12)11-8(14)5-2-3-7(13)10-5/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14)/t5-,6-/m0/s1
InChIKeyZIJNZKODBZPUFG-WDSKDSINSA-N
XLogP-2.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate (CID 12042452) is methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate is COC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is ZIJNZKODBZPUFG-WDSKDSINSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-16-9(15)6(4-12)11-8(14)5-2-3-7(13)10-5/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14)/t5-,6-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate?
methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 230.22 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 12042452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).