methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C13H23N3O5 — CID 115971586

IUPACmethyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C13H23N3O5/c1-8(2)5-14-13(20)15-11(18)7-16-6-9(17)4-10(16)12(19)21-3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18,20)
InChIKeyFIJCQUGIGIIPNJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.92
Rot. Bonds5

About methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 115971586) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID115971586
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Namemethyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C13H23N3O5/c1-8(2)5-14-13(20)15-11(18)7-16-6-9(17)4-10(16)12(19)21-3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18,20)
InChIKeyFIJCQUGIGIIPNJ-UHFFFAOYSA-N
XLogP-0.92
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
CID 112632836
methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 112632888
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
methyl (4R)-4-hydroxy-1-[2-(2-methylpropylsulfanyl)ethyl]pyrrolidine-2-carboxylate
CID 102561828
methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971582
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
CID 112632967

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 115971586) is methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1CC(=O)NC(=O)NCC(C)C.
What is the InChIKey of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is FIJCQUGIGIIPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-8(2)5-14-13(20)15-11(18)7-16-6-9(17)4-10(16)12(19)21-3/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18,20).
What are the key properties of methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 301.34 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115971586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).