1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid

C9H17NO2 — CID 115246423

IUPAC1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(C)CC1(C(=O)O)CCC1
InChIInChI=1S/C9H17NO2/c1-3-10(2)7-9(8(11)12)5-4-6-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyAHSGVMIXNRQFSV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds4

About 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246423) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115246423
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCN(C)CC1(C(=O)O)CCC1
InChIInChI=1S/C9H17NO2/c1-3-10(2)7-9(8(11)12)5-4-6-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyAHSGVMIXNRQFSV-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 1-((dimethylamino)methyl)cyclobutane-1-carboxylate
CID 10535185
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 55055457
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 62271212
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanoic acid
CID 62271773
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 62271965
2-Methyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]pentanoic acid
CID 65532043
2-[[2,2-Difluoroethyl(methyl)amino]methyl]-2-methylpentanoic acid
CID 116317740
1-[(4,4-Difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid
CID 116991262
1-[(3,3-Difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid
CID 116991381
1-Ethyl-3-methylpiperidine-3-carboxylic acid
CID 23389265
3-Methyl-1-propylpiperidine-3-carboxylic acid
CID 23389271
(3S)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722588

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115246423) is 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid is CCN(C)CC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is AHSGVMIXNRQFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10(2)7-9(8(11)12)5-4-6-9/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).