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

C12H20N2O6S — CID 120547784

IUPAC2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(CN1CCCS1(=O)=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C12H20N2O6S/c15-10(7-14-4-2-6-21(14,18)19)13-11(12(16)17)9-3-1-5-20-8-9/h9,11H,1-8H2,(H,13,15)(H,16,17)
InChIKeyLMKJDSGRNLNDHR-UHFFFAOYSA-N
MW320.37 g/mol
LogP-0.98
Rot. Bonds5

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

2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547784) has the molecular formula C12H20N2O6S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547784
Molecular FormulaC12H20N2O6S
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(CN1CCCS1(=O)=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C12H20N2O6S/c15-10(7-14-4-2-6-21(14,18)19)13-11(12(16)17)9-3-1-5-20-8-9/h9,11H,1-8H2,(H,13,15)(H,16,17)
InChIKeyLMKJDSGRNLNDHR-UHFFFAOYSA-N
XLogP-0.98
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548156
2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547465
2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
2-(oxan-3-yl)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetic acid
CID 120548015
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348327
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(3-butylsulfanylpropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547768
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547875
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690223
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid
CID 120549107

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547784) is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid is O=C(CN1CCCS1(=O)=O)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is LMKJDSGRNLNDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6S/c15-10(7-14-4-2-6-21(14,18)19)13-11(12(16)17)9-3-1-5-20-8-9/h9,11H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 320.37 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).