3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid

C13H25NO3 — CID 55066350

IUPAC3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid
SMILESCCNC(C)(COCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-3-14-13(2,12(15)16)10-17-9-11-7-5-4-6-8-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyUFAFAPTVCSPVNC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.04
Rot. Bonds7

About 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid

3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid (PubChem CID 55066350) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid
PubChem CID55066350
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid
SMILESCCNC(C)(COCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-3-14-13(2,12(15)16)10-17-9-11-7-5-4-6-8-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyUFAFAPTVCSPVNC-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid (CID 55066350) is 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid is CCNC(C)(COCC1CCCCC1)C(=O)O.
What is the InChIKey of 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid?
The InChIKey is UFAFAPTVCSPVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-14-13(2,12(15)16)10-17-9-11-7-5-4-6-8-11/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid?
3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-2-(ethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 55066350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).