2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid

C11H19NO4 — CID 103018992

IUPAC2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid
SMILESCOC(C)(C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-10(2,16-3)9(15)12-11(5-4-6-11)7-8(13)14/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyZROKZHJABGNHTF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.93
Rot. Bonds5

About 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid

2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid (PubChem CID 103018992) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid
PubChem CID103018992
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid
SMILESCOC(C)(C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-10(2,16-3)9(15)12-11(5-4-6-11)7-8(13)14/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyZROKZHJABGNHTF-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
CID 79846628
2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
CID 79845796
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
CID 64672154
2-[1-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclobutyl]acetic acid
CID 103555716
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
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2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
CID 79849178
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
2-[1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutyl]acetic acid
CID 115909854
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-(2-methylpent-2-enoylamino)cyclobutyl]acetic acid
CID 79849242

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid (CID 103018992) is 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid is COC(C)(C)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid?
The InChIKey is ZROKZHJABGNHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,16-3)9(15)12-11(5-4-6-11)7-8(13)14/h4-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 103018992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).