2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid

C11H16N2O4S — CID 43655391

IUPAC2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CN1CSCC1=O
InChIInChI=1S/C11H16N2O4S/c14-9(4-13-7-18-6-10(13)15)12(5-11(16)17)3-8-1-2-8/h8H,1-7H2,(H,16,17)
InChIKeyUOIOELZZEHJKQJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.16
Rot. Bonds6

About 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (PubChem CID 43655391) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
PubChem CID43655391
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CN1CSCC1=O
InChIInChI=1S/C11H16N2O4S/c14-9(4-13-7-18-6-10(13)15)12(5-11(16)17)3-8-1-2-8/h8H,1-7H2,(H,16,17)
InChIKeyUOIOELZZEHJKQJ-UHFFFAOYSA-N
XLogP-0.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (CID 43655391) is 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The InChIKey is UOIOELZZEHJKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-9(4-13-7-18-6-10(13)15)12(5-11(16)17)3-8-1-2-8/h8H,1-7H2,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid has a molecular weight of 272.33 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43655391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).