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

C10H17N3O4 — CID 81163023

IUPAC1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H17N3O4/c1-6(7(14)11-2)12-9(17)13-10(8(15)16)4-3-5-10/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyQBLMKOWNTZQJOE-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.57
Rot. Bonds4

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

1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163023) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81163023
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H17N3O4/c1-6(7(14)11-2)12-9(17)13-10(8(15)16)4-3-5-10/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyQBLMKOWNTZQJOE-UHFFFAOYSA-N
XLogP-0.57
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
CID 113280445
4-methyl-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465603
1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163444
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163375
1-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436808

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid (CID 81163023) is 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid is CNC(=O)C(C)NC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is QBLMKOWNTZQJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(7(14)11-2)12-9(17)13-10(8(15)16)4-3-5-10/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid?
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).