2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid

C13H21NO3 — CID 107000485

IUPAC2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCC1(C)CC1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H21NO3/c1-12(2)6-9(12)11(17)14-8-13(4-3-5-13)7-10(15)16/h9H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyBTBFIWRCDXCFBC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds5

About 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 107000485) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID107000485
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCC1(C)CC1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H21NO3/c1-12(2)6-9(12)11(17)14-8-13(4-3-5-13)7-10(15)16/h9H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyBTBFIWRCDXCFBC-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
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2-[1-[[[(E)-but-2-enoyl]amino]methyl]cyclobutyl]acetic acid
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2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
2-[1-[[[4-(methylamino)oxolane-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161098
2-[1-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104517767
2-[1-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161976
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid (CID 107000485) is 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid is CC1(C)CC1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is BTBFIWRCDXCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-12(2)6-9(12)11(17)14-8-13(4-3-5-13)7-10(15)16/h9H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 107000485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).