1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid

C12H22N2O4S — CID 103264123

IUPAC1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
SMILESCC(CS(C)=O)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4S/c1-9(8-19(2)18)13-7-11(15)14-5-3-10(4-6-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyUOOWKUZLKMVZPW-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.33
Rot. Bonds6

About 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 103264123) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID103264123
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
SMILESCC(CS(C)=O)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4S/c1-9(8-19(2)18)13-7-11(15)14-5-3-10(4-6-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyUOOWKUZLKMVZPW-UHFFFAOYSA-N
XLogP-0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid
CID 103242392
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103261509
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103258227
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103253640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid (CID 103264123) is 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid is CC(CS(C)=O)NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is UOOWKUZLKMVZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9(8-19(2)18)13-7-11(15)14-5-3-10(4-6-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103264123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).