2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid

C14H25NO2 — CID 114994706

IUPAC2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
SMILESCN(C1CCCCCC1)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25NO2/c1-14(13(16)17,11-9-10-11)15(2)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyZSFHAMJYHBEVGZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.89
Rot. Bonds4

About 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid

2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 114994706) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
PubChem CID114994706
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
SMILESCN(C1CCCCCC1)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25NO2/c1-14(13(16)17,11-9-10-11)15(2)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyZSFHAMJYHBEVGZ-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid
CID 65095103
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002428
2-cyclopropyl-2-[methyl(propyl)amino]propanoic acid
CID 114988948
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114987675
2-[cycloheptyl(methyl)amino]-2-methylpropanal
CID 130979617
2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
3-cyclohexyl-3-(dimethylamino)butanoic acid
CID 64527768
3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266389
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
2-cyclohexylsulfanyl-2-cyclopropylpropanoic acid
CID 114990643

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid (CID 114994706) is 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid is CN(C1CCCCCC1)C(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is ZSFHAMJYHBEVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(13(16)17,11-9-10-11)15(2)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid?
2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 114994706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).