4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid

C12H19NO6S — CID 119216843

IUPAC4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H19NO6S/c14-11(8-20(17,18)9-3-1-2-4-9)13-5-6-19-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyUHIIQLYMEGZGIW-UHFFFAOYSA-N
MW305.35 g/mol
LogP-0.34
Rot. Bonds4

About 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid

4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid (PubChem CID 119216843) has the molecular formula C12H19NO6S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
PubChem CID119216843
Molecular FormulaC12H19NO6S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H19NO6S/c14-11(8-20(17,18)9-3-1-2-4-9)13-5-6-19-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyUHIIQLYMEGZGIW-UHFFFAOYSA-N
XLogP-0.34
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid
CID 119216248
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216347
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
CID 79615257
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
CID 120521645
4-[(2R)-oxolane-2-carbonyl]morpholine-3-carboxylic acid
CID 104855782

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid (CID 119216843) is 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid?
The InChIKey is UHIIQLYMEGZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S/c14-11(8-20(17,18)9-3-1-2-4-9)13-5-6-19-7-10(13)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid?
4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119216843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).