2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid

C9H17NO4S — CID 64552825

IUPAC2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)C1CC1
InChIInChI=1S/C9H17NO4S/c1-7(2)5-10(6-9(11)12)15(13,14)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyHRKFBDXWKXJOCI-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.52
Rot. Bonds6

About 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid

2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid (PubChem CID 64552825) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
PubChem CID64552825
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)C1CC1
InChIInChI=1S/C9H17NO4S/c1-7(2)5-10(6-9(11)12)15(13,14)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyHRKFBDXWKXJOCI-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid (CID 64552825) is 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)S(=O)(=O)C1CC1.
What is the InChIKey of 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid?
The InChIKey is HRKFBDXWKXJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7(2)5-10(6-9(11)12)15(13,14)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid?
2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 64552825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).