3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid

C9H17NO4S — CID 64552405

IUPAC3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)C1CC1
InChIInChI=1S/C9H17NO4S/c1-3-10(6-7(2)9(11)12)15(13,14)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIUXFQFRBBOCABM-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.52
Rot. Bonds6

About 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid

3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 64552405) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID64552405
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)C1CC1
InChIInChI=1S/C9H17NO4S/c1-3-10(6-7(2)9(11)12)15(13,14)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIUXFQFRBBOCABM-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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Related Compounds

N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide
CID 64554271
2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
CID 64552825
3-[cyclohexylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 55008516
3-[ethyl(methylsulfonylmethylsulfonyl)amino]-2-methylpropanoic acid
CID 82838542
3-[(1,1-dioxothian-4-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 62084238
N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
CID 62048608
N-(3-aminopropyl)-N-ethylcyclopropanesulfonamide
CID 64554481
3-[(3,5-difluorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62826867
3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62826868
3-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]-2-methylpropanoic acid
CID 62826691
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid (CID 64552405) is 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)S(=O)(=O)C1CC1.
What is the InChIKey of 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is IUXFQFRBBOCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-3-10(6-7(2)9(11)12)15(13,14)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic 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 3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 64552405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).