2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid

C12H20N2O3S — CID 64701226

IUPAC2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCSCC2)CCCC1
InChIInChI=1S/C12H20N2O3S/c15-10(16)9-12(3-1-2-4-12)13-11(17)14-5-7-18-8-6-14/h1-9H2,(H,13,17)(H,15,16)
InChIKeyLABBVVRGVJJMNV-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.53
Rot. Bonds3

About 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid

2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid (PubChem CID 64701226) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid
PubChem CID64701226
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CCSCC2)CCCC1
InChIInChI=1S/C12H20N2O3S/c15-10(16)9-12(3-1-2-4-12)13-11(17)14-5-7-18-8-6-14/h1-9H2,(H,13,17)(H,15,16)
InChIKeyLABBVVRGVJJMNV-UHFFFAOYSA-N
XLogP1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(Trifluoromethylsulfanyl)ethylcarbamoylamino]cyclopentyl]acetic acid
CID 106431507
1-[(4-Thiomorpholinylcarbonyl)amino]cyclohexanecarboxylic acid
CID 57180739
1-[(1-Oxo-1,4-thiazinane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 54975708
2-[1-(Cyclopentylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197071
7-(Thiomorpholine-4-carbonylamino)heptanoic acid
CID 61200253
1-(Thiomorpholine-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 61200379
1-(Thiomorpholine-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 61200426
2-[1-(2-Cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61205754
2-[1-[(3-Methyl-1,1-dioxothiolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 61853349
3-(Thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63041930
2-[1-(2-Methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 63957705
2-[1-[(2-Methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-2-yl]acetic acid
CID 63958375

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid (CID 64701226) is 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)N2CCSCC2)CCCC1.
What is the InChIKey of 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid?
The InChIKey is LABBVVRGVJJMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-10(16)9-12(3-1-2-4-12)13-11(17)14-5-7-18-8-6-14/h1-9H2,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid?
2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid has a molecular weight of 272.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiomorpholine-4-carbonylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).