5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate

C17H32N2O6 — CID 175356213

IUPAC5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate
SMILESCC(CCC(=O)N(C)C)C(=O)O.COC(=O)C(C)CCC(=O)N(C)C
InChIInChI=1S/C9H17NO3.C8H15NO3/c1-7(9(12)13-4)5-6-8(11)10(2)3;1-6(8(11)12)4-5-7(10)9(2)3/h7H,5-6H2,1-4H3;6H,4-5H2,1-3H3,(H,11,12)
InChIKeyNVJOUTICTKEHQT-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.24
Rot. Bonds8

About 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate

5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate (PubChem CID 175356213) has the molecular formula C17H32N2O6 and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate.

Molecular Properties

Compound Name5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate
PubChem CID175356213
Molecular FormulaC17H32N2O6
Molecular Weight360.45 g/mol
Exact Mass360.23
IUPAC Name5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate
SMILESCC(CCC(=O)N(C)C)C(=O)O.COC(=O)C(C)CCC(=O)N(C)C
InChIInChI=1S/C9H17NO3.C8H15NO3/c1-7(9(12)13-4)5-6-8(11)10(2)3;1-6(8(11)12)4-5-7(10)9(2)3/h7H,5-6H2,1-4H3;6H,4-5H2,1-3H3,(H,11,12)
InChIKeyNVJOUTICTKEHQT-UHFFFAOYSA-N
XLogP1.24
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
methyl 5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 85196754
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
CID 19860300
methane;N,N,4-trimethylpentanamide
CID 160907901
19-methoxy-18-methyl-19-oxononadecanoic acid
CID 89462442
methyl 4-iodo-2-methylbutanoate
CID 71420285
methyl 5-(fluoromethyl)-2-methyloctanoate
CID 163222949
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
5-methoxy-4-methyl-2,5-dioxopentanoic acid
CID 174869002
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
methyl (2R,5S)-2-methyl-5-nitrohexanoate
CID 94036642

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate?
The IUPAC name of 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate (CID 175356213) is 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate.
What is the SMILES notation for 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate?
The canonical SMILES for 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate is CC(CCC(=O)N(C)C)C(=O)O.COC(=O)C(C)CCC(=O)N(C)C.
What is the InChIKey of 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate?
The InChIKey is NVJOUTICTKEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C8H15NO3/c1-7(9(12)13-4)5-6-8(11)10(2)3;1-6(8(11)12)4-5-7(10)9(2)3/h7H,5-6H2,1-4H3;6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate?
5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate has a molecular weight of 360.45 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate is sourced from PubChem (CID 175356213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).