2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid

C14H25NO5S — CID 65442331

IUPAC2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C14H25NO5S/c1-5-13(3,4)15-12(18)10(2)21(19,20)9-14(6-7-14)8-11(16)17/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGLETUWBMGBGTTB-UHFFFAOYSA-N
MW319.42 g/mol
LogP1.35
Rot. Bonds8

About 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid

2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 65442331) has the molecular formula C14H25NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID65442331
Molecular FormulaC14H25NO5S
Molecular Weight319.42 g/mol
Exact Mass319.15
IUPAC Name2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C14H25NO5S/c1-5-13(3,4)15-12(18)10(2)21(19,20)9-14(6-7-14)8-11(16)17/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGLETUWBMGBGTTB-UHFFFAOYSA-N
XLogP1.35
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid (CID 65442331) is 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid is CCC(C)(C)NC(=O)C(C)S(=O)(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is GLETUWBMGBGTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5S/c1-5-13(3,4)15-12(18)10(2)21(19,20)9-14(6-7-14)8-11(16)17/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 319.42 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).