2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid

C10H17NO4S — CID 65442755

IUPAC2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESCCC(C(N)=O)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C10H17NO4S/c1-2-7(9(11)14)16(15)6-10(3-4-10)5-8(12)13/h7H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyLXZILZOBCTVQTE-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.25
Rot. Bonds7

About 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65442755) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65442755
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESCCC(C(N)=O)S(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C10H17NO4S/c1-2-7(9(11)14)16(15)6-10(3-4-10)5-8(12)13/h7H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyLXZILZOBCTVQTE-UHFFFAOYSA-N
XLogP0.25
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid (CID 65442755) is 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid is CCC(C(N)=O)S(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is LXZILZOBCTVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-2-7(9(11)14)16(15)6-10(3-4-10)5-8(12)13/h7H,2-6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 247.32 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).