2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid

C10H17NO5S — CID 105354775

IUPAC2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)S(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C10H17NO5S/c1-6(2)9(10(13)14)17(15,16)5-8(12)11-7-3-4-7/h6-7,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYNESVDYIRNTHKP-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.21
Rot. Bonds6

About 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid

2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid (PubChem CID 105354775) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid
PubChem CID105354775
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)S(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C10H17NO5S/c1-6(2)9(10(13)14)17(15,16)5-8(12)11-7-3-4-7/h6-7,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYNESVDYIRNTHKP-UHFFFAOYSA-N
XLogP-0.21
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
Butanoic acid, 2-(acetylamino)-4-(ethylsulfonyl)-, (S)-
CID 187284
3-Methyl-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfonylbutanoic acid
CID 113706691
2-[[2-(Cyclopropylamino)-2-oxoethyl]sulfonylmethyl]-3,3,3-trifluoropropanoic acid
CID 114232359
(2S)-2-(cyclopropanecarbonylamino)-3-heptan-4-ylsulfonylpropanoic acid
CID 69320076
(2R)-2-[(2-cyclopropylacetyl)amino]-3-heptan-4-ylsulfonylpropanoic acid
CID 91379544
2-[[2-[(2-Amino-4-methylsulfonylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 153633171
(2S)-2-amino-4-methylsulfonylbutanamide;(2S)-3-methyl-2-(3-methylbutanoylamino)butanoic acid
CID 153633172
H-Met(O2)-Val-Val-OH
CID 154980187
4-Ethylsulfanyl-2-methyl-3-(propanoylamino)butanoic acid
CID 177187627
Ethane;4-ethylsulfanyl-2-methyl-3-(propanoylamino)butanoic acid
CID 178020162
2-(2-Methylbutanoylamino)-4-methylsulfonylbutanoic acid
CID 18071609

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid?
The IUPAC name of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid (CID 105354775) is 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid?
The canonical SMILES for 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid is CC(C)C(C(=O)O)S(=O)(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid?
The InChIKey is YNESVDYIRNTHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-6(2)9(10(13)14)17(15,16)5-8(12)11-7-3-4-7/h6-7,9H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid?
2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-3-methylbutanoic acid is sourced from PubChem (CID 105354775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).