1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid

C11H16N2O2 — CID 116958953

IUPAC1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(c1cc[nH]c1)C1(C(=O)O)CCC1
InChIInChI=1S/C11H16N2O2/c1-12-9(8-3-6-13-7-8)11(10(14)15)4-2-5-11/h3,6-7,9,12-13H,2,4-5H2,1H3,(H,14,15)
InChIKeyLTONSHOQSCNTHZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.53
Rot. Bonds4

About 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid

1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116958953) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116958953
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCNC(c1cc[nH]c1)C1(C(=O)O)CCC1
InChIInChI=1S/C11H16N2O2/c1-12-9(8-3-6-13-7-8)11(10(14)15)4-2-5-11/h3,6-7,9,12-13H,2,4-5H2,1H3,(H,14,15)
InChIKeyLTONSHOQSCNTHZ-UHFFFAOYSA-N
XLogP1.53
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958929
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 116958677
1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958932
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220
1-[methylamino-(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116958178
1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958928
1-[1-benzofuran-3-yl(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958973
1-[(4-ethylsulfanylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958179
1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958196
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
2-[methylamino(1H-pyrrol-3-yl)methyl]butanoic acid
CID 116959709

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid (CID 116958953) is 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid is CNC(c1cc[nH]c1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is LTONSHOQSCNTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-9(8-3-6-13-7-8)11(10(14)15)4-2-5-11/h3,6-7,9,12-13H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid?
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116958953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).