2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid

C13H22N2O3S — CID 64702214

IUPAC2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCN(C(=O)NC1(CC(=O)O)CCCC1)C1CCSC1
InChIInChI=1S/C13H22N2O3S/c1-15(10-4-7-19-9-10)12(18)14-13(8-11(16)17)5-2-3-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPWFCCFBXUUVAQW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64702214) 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]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64702214
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCN(C(=O)NC1(CC(=O)O)CCCC1)C1CCSC1
InChIInChI=1S/C13H22N2O3S/c1-15(10-4-7-19-9-10)12(18)14-13(8-11(16)17)5-2-3-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPWFCCFBXUUVAQW-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64702214) is 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid is CN(C(=O)NC1(CC(=O)O)CCCC1)C1CCSC1.
What is the InChIKey of 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is PWFCCFBXUUVAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-15(10-4-7-19-9-10)12(18)14-13(8-11(16)17)5-2-3-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 286.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(thiolan-3-yl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).