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

C14H24N2O3S — CID 62215737

IUPAC3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCN(C(=O)N1CCC(CCC(=O)O)CC1)C1CCSC1
InChIInChI=1S/C14H24N2O3S/c1-15(12-6-9-20-10-12)14(19)16-7-4-11(5-8-16)2-3-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyIZFQERUWXKMOMN-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.12
Rot. Bonds4

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

3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62215737) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62215737
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCN(C(=O)N1CCC(CCC(=O)O)CC1)C1CCSC1
InChIInChI=1S/C14H24N2O3S/c1-15(12-6-9-20-10-12)14(19)16-7-4-11(5-8-16)2-3-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyIZFQERUWXKMOMN-UHFFFAOYSA-N
XLogP2.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608336
4-methyl-1-[methyl(thiolan-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63123798
N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide
CID 116654225
3-[1-(thiomorpholine-4-carbonyl)piperidin-4-yl]propanoic acid
CID 55049567
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609
3-(thian-4-yl)propanoic acid
CID 82411342
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
4-[methyl(thiolan-3-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904711
3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62210113
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199868
4-[[methyl(thiolan-3-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197986

Frequently Asked Questions

What is the IUPAC name of 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid (CID 62215737) is 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid is CN(C(=O)N1CCC(CCC(=O)O)CC1)C1CCSC1.
What is the InChIKey of 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is IZFQERUWXKMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-15(12-6-9-20-10-12)14(19)16-7-4-11(5-8-16)2-3-13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 300.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62215737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).