2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid

C10H17NO5S — CID 65442731

IUPAC2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESCC(CS(=O)(=O)CC1(CC(=O)O)CC1)C(N)=O
InChIInChI=1S/C10H17NO5S/c1-7(9(11)14)5-17(15,16)6-10(2-3-10)4-8(12)13/h7H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyVCFCZXJEGNQTNY-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.22
Rot. Bonds7

About 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid

2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 65442731) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID65442731
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESCC(CS(=O)(=O)CC1(CC(=O)O)CC1)C(N)=O
InChIInChI=1S/C10H17NO5S/c1-7(9(11)14)5-17(15,16)6-10(2-3-10)4-8(12)13/h7H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyVCFCZXJEGNQTNY-UHFFFAOYSA-N
XLogP-0.22
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid (CID 65442731) is 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid is CC(CS(=O)(=O)CC1(CC(=O)O)CC1)C(N)=O.
What is the InChIKey of 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is VCFCZXJEGNQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-7(9(11)14)5-17(15,16)6-10(2-3-10)4-8(12)13/h7H,2-6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 263.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65442731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).