2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid

C14H25NO3 — CID 63074524

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid
SMILESCOCCN(C1CC1)C1CCCCCC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-18-10-9-15(11-7-8-11)13-6-4-2-3-5-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyGYLUSCJBOAGBMQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds6

About 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid

2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 63074524) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid
PubChem CID63074524
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid
SMILESCOCCN(C1CC1)C1CCCCCC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-18-10-9-15(11-7-8-11)13-6-4-2-3-5-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyGYLUSCJBOAGBMQ-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(Diethylamino)propyl]octanoic acid
CID 88291797
(7-Carboxy-2-methylheptyl)-ethyl-(2-methoxyethyl)-methylazanium
CID 90772725
Methyl 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylate
CID 91262141
methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate
CID 12982924
2-[Ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
CID 55146128
2-[3-Methoxypropyl(methyl)amino]cycloheptane-1-carboxylic acid
CID 55146525
2-[Bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 55146526
2-(2-Ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
CID 55146705
2-[Methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
CID 55146706
2-[2-Methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55146708
2-[2-Methoxyethyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 55146711
2-[Ethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 55147085

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid (CID 63074524) is 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid is COCCN(C1CC1)C1CCCCCC1C(=O)O.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is GYLUSCJBOAGBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-10-9-15(11-7-8-11)13-6-4-2-3-5-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid?
2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63074524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).