(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid

C11H19NO4S — CID 67998853

IUPAC(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
SMILESCC[C@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO4S/c1-2-7-5-8(6-10(7)11(13)14)12-17(15,16)9-3-4-9/h7-10,12H,2-6H2,1H3,(H,13,14)/t7-,8+,10-/m0/s1
InChIKeyGUGHDPDCJRWOTN-XKSSXDPKSA-N
MW261.34 g/mol
LogP0.96
Rot. Bonds5

About (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid

(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid (PubChem CID 67998853) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
PubChem CID67998853
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
SMILESCC[C@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO4S/c1-2-7-5-8(6-10(7)11(13)14)12-17(15,16)9-3-4-9/h7-10,12H,2-6H2,1H3,(H,13,14)/t7-,8+,10-/m0/s1
InChIKeyGUGHDPDCJRWOTN-XKSSXDPKSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid (CID 67998853) is (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid is CC[C@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@@H]1C(=O)O.
What is the InChIKey of (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
The InChIKey is GUGHDPDCJRWOTN-XKSSXDPKSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-2-7-5-8(6-10(7)11(13)14)12-17(15,16)9-3-4-9/h7-10,12H,2-6H2,1H3,(H,13,14)/t7-,8+,10-/m0/s1.
What are the key properties of (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid?
(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 67998853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).