methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate

C12H19NO5 — CID 122408534

IUPACmethyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)CC(C)=O
InChIInChI=1S/C12H19NO5/c1-8(15)6-9(7-14)11(16)13-5-3-4-10(13)12(17)18-2/h9-10,14H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyVZLGSTGSYGOKSM-ZJUUUORDSA-N
MW257.29 g/mol
LogP-0.26
Rot. Bonds5

About methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate (PubChem CID 122408534) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate
PubChem CID122408534
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namemethyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)CC(C)=O
InChIInChI=1S/C12H19NO5/c1-8(15)6-9(7-14)11(16)13-5-3-4-10(13)12(17)18-2/h9-10,14H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyVZLGSTGSYGOKSM-ZJUUUORDSA-N
XLogP-0.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045
methyl (2S)-1-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 129101666
methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 102320964
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
methyl 1-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 73191266
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl (2S)-1-[(2S)-2-bromo-4,4,4-trichlorobutanoyl]pyrrolidine-2-carboxylate
CID 23237999

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate (CID 122408534) is methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)CC(C)=O.
What is the InChIKey of methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate?
The InChIKey is VZLGSTGSYGOKSM-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO5/c1-8(15)6-9(7-14)11(16)13-5-3-4-10(13)12(17)18-2/h9-10,14H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(2R)-2-(hydroxymethyl)-4-oxopentanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 122408534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).