2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid

C15H20N2O5S — CID 119347312

IUPAC2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C15H20N2O5S/c18-14(11-17-8-4-10-23(17,21)22)16(12-15(19)20)9-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,19,20)
InChIKeyKDGOHQGJUDYIDS-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.18
Rot. Bonds7

About 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid

2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 119347312) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
PubChem CID119347312
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C15H20N2O5S/c18-14(11-17-8-4-10-23(17,21)22)16(12-15(19)20)9-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,19,20)
InChIKeyKDGOHQGJUDYIDS-UHFFFAOYSA-N
XLogP0.18
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid with MolForge

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Related Compounds

N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide
CID 120885058
N-(3-aminopropyl)-N-benzyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide;hydrochloride
CID 120649716
2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
CID 119347306
N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
CID 110687706
2-[2-phenylethyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
CID 119347669
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347603
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886797
2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
CID 119347399
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
2-[(6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 120690016

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid (CID 119347312) is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)CN1CCCS1(=O)=O.
What is the InChIKey of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is KDGOHQGJUDYIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-14(11-17-8-4-10-23(17,21)22)16(12-15(19)20)9-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,19,20).
What are the key properties of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 340.40 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).