2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid

C11H18N2O5S — CID 79845778

IUPAC2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2CCS(=O)(=O)C2)CCC1
InChIInChI=1S/C11H18N2O5S/c14-9(15)6-11(3-1-4-11)13-10(16)12-8-2-5-19(17,18)7-8/h8H,1-7H2,(H,14,15)(H2,12,13,16)
InChIKeyXPTDXRBDXSMVDC-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.13
Rot. Bonds4

About 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79845778) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID79845778
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2CCS(=O)(=O)C2)CCC1
InChIInChI=1S/C11H18N2O5S/c14-9(15)6-11(3-1-4-11)13-10(16)12-8-2-5-19(17,18)7-8/h8H,1-7H2,(H,14,15)(H2,12,13,16)
InChIKeyXPTDXRBDXSMVDC-UHFFFAOYSA-N
XLogP-0.13
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845890
2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64699503
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
CID 114548722
N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240476
1-[(1,1-dioxothiolan-3-yl)carbamoylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61180971
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 51081511
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672752
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[1-(4-fluorophenyl)cyclobutyl]urea
CID 95307173
2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
CID 80522088
2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 82729085
1-[(1,1-dioxothiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095028

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid (CID 79845778) is 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NC2CCS(=O)(=O)C2)CCC1.
What is the InChIKey of 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is XPTDXRBDXSMVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c14-9(15)6-11(3-1-4-11)13-10(16)12-8-2-5-19(17,18)7-8/h8H,1-7H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).