1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid

C11H21NO3 — CID 79648508

IUPAC1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-8-5-6-11(7-8,12-4)9(13)14/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyLRGUHJGSMWRPQD-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds3

About 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid

1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (PubChem CID 79648508) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
PubChem CID79648508
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-8-5-6-11(7-8,12-4)9(13)14/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyLRGUHJGSMWRPQD-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637762
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
CID 79648507
1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637616
1-amino-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 45026971
3-(2-methoxyethoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648903
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
cis-(1R,3R)-3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124634003
3-(4-tert-butylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651757
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (CID 79648508) is 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCC(OC(C)(C)C)C1.
What is the InChIKey of 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The InChIKey is LRGUHJGSMWRPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-8-5-6-11(7-8,12-4)9(13)14/h8,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).