2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H21NO2 — CID 115221565

IUPAC2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CC1C(=O)O)CC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-12(4)6-8-5-9(8)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyRMLVECBCQDVVMR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.68
Rot. Bonds4

About 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid

2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221565) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221565
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CC1C(=O)O)CC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-12(4)6-8-5-9(8)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyRMLVECBCQDVVMR-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propylaminomethyl)cyclopropane-1-carboxylic acid
CID 13039531
Methyl 2-[(dimethylamino)methyl]cyclopropane-1-carboxylate
CID 20249537
5-[4-Carboxybutyl(4-methylpentyl)amino]pentanoic acid
CID 20678062
2-Methyl-5-[methyl(propan-2-yl)amino]pentanoic acid
CID 20738436
5-[2-Methylpropyl(propan-2-yl)amino]pentanoic acid
CID 23540445
2-[1-(Cyclopropylmethyl)piperidin-4-yl]acetic acid
CID 28693957
2-(1-Ethylpyrrolidin-3-yl)acetic acid
CID 53408607
5-(Dimethylamino)-2-methylpentanoic acid
CID 53924517
5-(Diethylamino)-2-methylpentanoic acid
CID 54394683
5-(Diethylamino)-2-ethylpentanoic acid
CID 54571832
1-(1-Methylpyrrolidin-3-yl)cyclopropane-1-carboxylic acid
CID 57580018
2-[1-(2,2-Dimethylpropyl)piperidin-4-yl]acetic acid
CID 57632759

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115221565) is 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid is CN(CC1CC1C(=O)O)CC(C)(C)C.
What is the InChIKey of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RMLVECBCQDVVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)7-12(4)6-8-5-9(8)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid?
2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).