3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid

C14H25NO2 — CID 65054451

IUPAC3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid
SMILESCC1CCC(C)C(N(CCC(=O)O)C2CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-3-4-11(2)13(9-10)15(12-5-6-12)8-7-14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyINNRJEWYPUTEIG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds5

About 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid

3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid (PubChem CID 65054451) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid
PubChem CID65054451
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid
SMILESCC1CCC(C)C(N(CCC(=O)O)C2CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-3-4-11(2)13(9-10)15(12-5-6-12)8-7-14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyINNRJEWYPUTEIG-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65059247
3-[cyclopropyl-(2-methylthian-3-yl)amino]propanoic acid
CID 79952185
3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
CID 65059053
2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
CID 65057481
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
2-[(2,5-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285353
3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65087501
3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 55209464
hexadecanoic acid;1,2,4-trimethylcyclohexane
CID 158194020

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid (CID 65054451) is 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid is CC1CCC(C)C(N(CCC(=O)O)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid?
The InChIKey is INNRJEWYPUTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-3-4-11(2)13(9-10)15(12-5-6-12)8-7-14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid?
3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 65054451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).