3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid

C15H27NO2 — CID 65087501

IUPAC3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
SMILESCC1(C)CCCC(N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C15H27NO2/c1-15(2)9-3-4-12(7-10-15)16(13-5-6-13)11-8-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyDENNWXGYHABDAH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.28
Rot. Bonds5

About 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid

3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid (PubChem CID 65087501) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
PubChem CID65087501
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
SMILESCC1(C)CCCC(N(CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C15H27NO2/c1-15(2)9-3-4-12(7-10-15)16(13-5-6-13)11-8-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyDENNWXGYHABDAH-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]propanoic acid
CID 65087705
3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65059247
3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
CID 80699493
3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
CID 65059053
2-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]acetic acid
CID 65087703
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
3-[(3,3-dimethylcyclopentyl)-propan-2-ylamino]propanoic acid
CID 80698919
3-[cyclopropyl-(2-methylthian-3-yl)amino]propanoic acid
CID 79952185
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid (CID 65087501) is 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid is CC1(C)CCCC(N(CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid?
The InChIKey is DENNWXGYHABDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2)9-3-4-12(7-10-15)16(13-5-6-13)11-8-14(17)18/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid?
3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid is sourced from PubChem (CID 65087501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).