2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid

C13H25NO3 — CID 115001166

IUPAC2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
SMILESCOCCC(C)(NCCC1CCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(12(15)16,8-10-17-2)14-9-7-11-5-3-4-6-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyGKBNANHRGWZSIJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.04
Rot. Bonds8

About 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid

2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid (PubChem CID 115001166) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
PubChem CID115001166
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
SMILESCOCCC(C)(NCCC1CCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(12(15)16,8-10-17-2)14-9-7-11-5-3-4-6-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyGKBNANHRGWZSIJ-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate
CID 79047361
N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 103529191
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
2-cycloheptyloxy-4-methoxy-2-methylbutanoic acid
CID 114999950
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
CID 102722825
N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid?
The IUPAC name of 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid (CID 115001166) is 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid?
The canonical SMILES for 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid is COCCC(C)(NCCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid?
The InChIKey is GKBNANHRGWZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(12(15)16,8-10-17-2)14-9-7-11-5-3-4-6-11/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid?
2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid is sourced from PubChem (CID 115001166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).