2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid

C12H23N3O3 — CID 82939315

IUPAC2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC(CN(C)C)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H23N3O3/c1-9(8-15(2)3)13-11(18)14-12(5-4-6-12)7-10(16)17/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyQOIDUXHMGWIDFG-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.63
Rot. Bonds6

About 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid

2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid (PubChem CID 82939315) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
PubChem CID82939315
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC(CN(C)C)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H23N3O3/c1-9(8-15(2)3)13-11(18)14-12(5-4-6-12)7-10(16)17/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyQOIDUXHMGWIDFG-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 79842257
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64702045

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid (CID 82939315) is 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid is CC(CN(C)C)NC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
The InChIKey is QOIDUXHMGWIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(8-15(2)3)13-11(18)14-12(5-4-6-12)7-10(16)17/h9H,4-8H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 82939315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).