1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid

C11H20N2O3 — CID 82950765

IUPAC1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid
SMILESCC(CN(C)C)N1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H20N2O3/c1-8(6-12(2)3)13-7-9(11(15)16)4-5-10(13)14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyNPFCKCQKGBZGSH-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.26
Rot. Bonds4

About 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid

1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 82950765) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid
PubChem CID82950765
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid
SMILESCC(CN(C)C)N1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H20N2O3/c1-8(6-12(2)3)13-7-9(11(15)16)4-5-10(13)14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyNPFCKCQKGBZGSH-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
3-bromo-1-[1-(dimethylamino)propan-2-yl]pyrrolidin-2-one
CID 82949971
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62639907
1-[(2S)-3-chlorobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 147481828
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 119354643
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103968342

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid (CID 82950765) is 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid is CC(CN(C)C)N1CC(C(=O)O)CCC1=O.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is NPFCKCQKGBZGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(6-12(2)3)13-7-9(11(15)16)4-5-10(13)14/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid?
1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 82950765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).