2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid

C13H22N2O3S — CID 79608336

IUPAC2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCN(C(=O)N1CCC(CC(=O)O)CC1)C1CCSC1
InChIInChI=1S/C13H22N2O3S/c1-14(11-4-7-19-9-11)13(18)15-5-2-10(3-6-15)8-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyYEVNVXFOKYWXGJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79608336) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79608336
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCN(C(=O)N1CCC(CC(=O)O)CC1)C1CCSC1
InChIInChI=1S/C13H22N2O3S/c1-14(11-4-7-19-9-11)13(18)15-5-2-10(3-6-15)8-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyYEVNVXFOKYWXGJ-UHFFFAOYSA-N
XLogP1.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62215737
4-methyl-1-[methyl(thiolan-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63123798
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide
CID 116654225
4-[methyl(thiolan-3-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904711
1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199868
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
CID 54978899
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid (CID 79608336) is 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid is CN(C(=O)N1CCC(CC(=O)O)CC1)C1CCSC1.
What is the InChIKey of 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is YEVNVXFOKYWXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-14(11-4-7-19-9-11)13(18)15-5-2-10(3-6-15)8-12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 286.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).