methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate

C12H21NO4 — CID 112697970

IUPACmethyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)COC(C)C)CC1C
InChIInChI=1S/C12H21NO4/c1-8(2)17-7-11(14)13-5-9(3)10(6-13)12(15)16-4/h8-10H,5-7H2,1-4H3
InChIKeyUQHKESNWDLERSN-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.68
Rot. Bonds4

About methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate

methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate (PubChem CID 112697970) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate
PubChem CID112697970
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)COC(C)C)CC1C
InChIInChI=1S/C12H21NO4/c1-8(2)17-7-11(14)13-5-9(3)10(6-13)12(15)16-4/h8-10H,5-7H2,1-4H3
InChIKeyUQHKESNWDLERSN-UHFFFAOYSA-N
XLogP0.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-1-(3-propan-2-yloxypropanoyl)pyrrolidine-3-carboxylic acid
CID 120953277
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516
1-O-tert-butyl 3-O-methyl 4-methylpyrrolidine-1,3-dicarboxylate
CID 23590627
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone
CID 102937838
methyl 1-but-2-ynoyl-4-methylpyrrolidine-3-carboxylate
CID 107991040
(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567313
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
CID 112602165
methyl 1-(3-hydroxybutanoyl)azetidine-3-carboxylate
CID 143455372
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603948
4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate (CID 112697970) is methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate is COC(=O)C1CN(C(=O)COC(C)C)CC1C.
What is the InChIKey of methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate?
The InChIKey is UQHKESNWDLERSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)17-7-11(14)13-5-9(3)10(6-13)12(15)16-4/h8-10H,5-7H2,1-4H3.
What are the key properties of methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate?
methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112697970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).