3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate

C12H24N2O3 — CID 169191950

IUPAC3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate
SMILESCC1CC(N)C(=O)N1.COC(=O)CCC(C)C
InChIInChI=1S/C7H14O2.C5H10N2O/c1-6(2)4-5-7(8)9-3;1-3-2-4(6)5(8)7-3/h6H,4-5H2,1-3H3;3-4H,2,6H2,1H3,(H,7,8)
InChIKeyRQUUYGYGVKDTGZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.82
Rot. Bonds3

About 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate

3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate (PubChem CID 169191950) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate.

Molecular Properties

Compound Name3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate
PubChem CID169191950
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate
SMILESCC1CC(N)C(=O)N1.COC(=O)CCC(C)C
InChIInChI=1S/C7H14O2.C5H10N2O/c1-6(2)4-5-7(8)9-3;1-3-2-4(6)5(8)7-3/h6H,4-5H2,1-3H3;3-4H,2,6H2,1H3,(H,7,8)
InChIKeyRQUUYGYGVKDTGZ-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
ethane;4-methylpentanoic acid;5-methylpyrrolidin-2-one
CID 169191728
dimethyl 4-methylheptanedioate
CID 521222
1-O-methyl 6-O-(4-methylpentyl) hexanedioate
CID 91718008
methyl 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanoate
CID 116980354
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
methyl 4-cyclohexylpentanoate
CID 174916606
methyl 1-(4-methylpentanoyloxy)-2-oxopyrrolidine-3-carboxylate
CID 54469992
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium
CID 6994978
methyl 21-methyldocosanoate
CID 14178788

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate?
The IUPAC name of 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate (CID 169191950) is 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate.
What is the SMILES notation for 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate?
The canonical SMILES for 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate is CC1CC(N)C(=O)N1.COC(=O)CCC(C)C.
What is the InChIKey of 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate?
The InChIKey is RQUUYGYGVKDTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C5H10N2O/c1-6(2)4-5-7(8)9-3;1-3-2-4(6)5(8)7-3/h6H,4-5H2,1-3H3;3-4H,2,6H2,1H3,(H,7,8).
What are the key properties of 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate?
3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate has a molecular weight of 244.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylpyrrolidin-2-one;methyl 4-methylpentanoate is sourced from PubChem (CID 169191950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).