2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid

C10H18N2O5S — CID 119348327

IUPAC2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)CN1CCCS1(=O)=O)C(=O)O
InChIInChI=1S/C10H18N2O5S/c1-7(2)9(10(14)15)11-8(13)6-12-4-3-5-18(12,16)17/h7,9H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyFAMJTTXHFMIJJH-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.75
Rot. Bonds5

About 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid

2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 119348327) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
PubChem CID119348327
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)CN1CCCS1(=O)=O)C(=O)O
InChIInChI=1S/C10H18N2O5S/c1-7(2)9(10(14)15)11-8(13)6-12-4-3-5-18(12,16)17/h7,9H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyFAMJTTXHFMIJJH-UHFFFAOYSA-N
XLogP-0.75
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547784
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid
CID 119358530
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120654491
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
(2S)-3-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 92919551
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 47235152
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-methylpropanoic acid
CID 119237341
2-[(2-carboxyacetyl)amino]-3-methylbutanoic acid
CID 62232475
(2R)-2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 119368157
N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687817
N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid (CID 119348327) is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid is CC(C)C(NC(=O)CN1CCCS1(=O)=O)C(=O)O.
What is the InChIKey of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is FAMJTTXHFMIJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-7(2)9(10(14)15)11-8(13)6-12-4-3-5-18(12,16)17/h7,9H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid?
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 278.33 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 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]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119348327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).