methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate

C15H27NO3 — CID 63041162

IUPACmethyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate
SMILESCOC(=O)C(CCOC1CCCCC1C)NC1CC1
InChIInChI=1S/C15H27NO3/c1-11-5-3-4-6-14(11)19-10-9-13(15(17)18-2)16-12-7-8-12/h11-14,16H,3-10H2,1-2H3
InChIKeyYBUYNKMJUKCIKG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate

methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate (PubChem CID 63041162) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate
PubChem CID63041162
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate
SMILESCOC(=O)C(CCOC1CCCCC1C)NC1CC1
InChIInChI=1S/C15H27NO3/c1-11-5-3-4-6-14(11)19-10-9-13(15(17)18-2)16-12-7-8-12/h11-14,16H,3-10H2,1-2H3
InChIKeyYBUYNKMJUKCIKG-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate (CID 63041162) is methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate is COC(=O)C(CCOC1CCCCC1C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate?
The InChIKey is YBUYNKMJUKCIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11-5-3-4-6-14(11)19-10-9-13(15(17)18-2)16-12-7-8-12/h11-14,16H,3-10H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate?
methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate has a molecular weight of 269.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(2-methylcyclohexyl)oxybutanoate is sourced from PubChem (CID 63041162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).