1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid

C10H16N2O5 — CID 81163444

IUPAC1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H16N2O5/c1-6(7(13)17-2)11-9(16)12-10(8(14)15)4-3-5-10/h6H,3-5H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyGBSQJJODHSSAKP-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.15
Rot. Bonds4

About 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid

1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163444) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81163444
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H16N2O5/c1-6(7(13)17-2)11-9(16)12-10(8(14)15)4-3-5-10/h6H,3-5H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyGBSQJJODHSSAKP-UHFFFAOYSA-N
XLogP-0.15
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
1-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61202421
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163375
methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169291
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 81158683

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid (CID 81163444) is 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid is COC(=O)C(C)NC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is GBSQJJODHSSAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6(7(13)17-2)11-9(16)12-10(8(14)15)4-3-5-10/h6H,3-5H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).