4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid

C16H29NO3 — CID 64719807

IUPAC4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)OCC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-12(20-11-13-6-4-3-5-7-13)10-16(2,15(18)19)17-14-8-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyMAYMTRBCWXUQNT-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.96
Rot. Bonds8

About 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid

4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid (PubChem CID 64719807) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
PubChem CID64719807
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)OCC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-12(20-11-13-6-4-3-5-7-13)10-16(2,15(18)19)17-14-8-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyMAYMTRBCWXUQNT-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587
2-(cyclopropylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanoic acid
CID 106448855
2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66276576
4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64711886
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid
CID 64746960
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
CID 104691548

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid?
The IUPAC name of 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid (CID 64719807) is 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid is CC(CC(C)(NC1CC1)C(=O)O)OCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid?
The InChIKey is MAYMTRBCWXUQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(20-11-13-6-4-3-5-7-13)10-16(2,15(18)19)17-14-8-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid?
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid has a molecular weight of 283.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid is sourced from PubChem (CID 64719807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).