2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid

C13H25NO2 — CID 115221739

IUPAC2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)C(C)(C)CNCC1CC1C(=O)O
InChIInChI=1S/C13H25NO2/c1-12(2,3)13(4,5)8-14-7-9-6-10(9)11(15)16/h9-10,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyRSNBLMJVZATNLA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.37
Rot. Bonds5

About 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid

2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221739) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221739
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)C(C)(C)CNCC1CC1C(=O)O
InChIInChI=1S/C13H25NO2/c1-12(2,3)13(4,5)8-14-7-9-6-10(9)11(15)16/h9-10,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyRSNBLMJVZATNLA-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221630
2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221764
2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221553
4,5-bis(2,2-dimethylpropyl)cyclohexane-1,2-dicarboxylic acid
CID 155177346
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 78144501
2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221350
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
2-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221551
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 10654204
2-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221563
2-(2-oxoethyl)cyclopropane-1-carboxylic acid
CID 91091325

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid (CID 115221739) is 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid is CC(C)(C)C(C)(C)CNCC1CC1C(=O)O.
What is the InChIKey of 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RSNBLMJVZATNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)13(4,5)8-14-7-9-6-10(9)11(15)16/h9-10,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).