3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid

C11H17NO2 — CID 165466041

IUPAC3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid
SMILESCCCN(C)C1CC(C#CC(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-3-6-12(2)10-7-9(8-10)4-5-11(13)14/h9-10H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyDEICGOLDKXFKEU-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.19
Rot. Bonds3

About 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid

3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid (PubChem CID 165466041) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid.

Molecular Properties

Compound Name3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid
PubChem CID165466041
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid
SMILESCCCN(C)C1CC(C#CC(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-3-6-12(2)10-7-9(8-10)4-5-11(13)14/h9-10H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyDEICGOLDKXFKEU-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
1-N-methyl-3-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
CID 156523602
3-(aminomethyl)-N-methyl-N-propylcyclohexan-1-amine
CID 165456467
ethane;N-methyl-N-propylazetidin-3-amine
CID 144899605
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N,N-dipropylacetamide
CID 61232221
(2S,4S)-1-(2,2-diphenylacetyl)-4-[methyl(propyl)amino]piperidine-2-carboxylic acid;(2S,4R)-1-(2,2-diphenylacetyl)-4-[methyl(propyl)amino]piperidine-2-carboxylic acid
CID 159138030
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79650274
N-cyclohexyl-N-methyl-N',N'-dipropylethane-1,2-diamine
CID 54810081
4-ethoxy-N-methyl-N-propylcyclohexan-1-amine
CID 166800579
3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid
CID 107003443
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid?
The IUPAC name of 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid (CID 165466041) is 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid.
What is the SMILES notation for 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid?
The canonical SMILES for 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid is CCCN(C)C1CC(C#CC(=O)O)C1.
What is the InChIKey of 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid?
The InChIKey is DEICGOLDKXFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-6-12(2)10-7-9(8-10)4-5-11(13)14/h9-10H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid?
3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid has a molecular weight of 195.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(propyl)amino]cyclobutyl]prop-2-ynoic acid is sourced from PubChem (CID 165466041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).