2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid

C10H17NO5S — CID 43655310

IUPAC2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCS(=O)(=O)CCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H17NO5S/c1-17(15,16)5-4-9(12)11(7-10(13)14)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyQNPJYOOQHXNKHL-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.26
Rot. Bonds7

About 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid

2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid (PubChem CID 43655310) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid
PubChem CID43655310
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid
SMILESCS(=O)(=O)CCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H17NO5S/c1-17(15,16)5-4-9(12)11(7-10(13)14)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyQNPJYOOQHXNKHL-UHFFFAOYSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid (CID 43655310) is 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid is CS(=O)(=O)CCC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
The InChIKey is QNPJYOOQHXNKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-17(15,16)5-4-9(12)11(7-10(13)14)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid?
2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid has a molecular weight of 263.31 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(3-methylsulfonylpropanoyl)amino]acetic acid is sourced from PubChem (CID 43655310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).