4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid

C12H23NO2 — CID 116908291

IUPAC4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
SMILESCC(CC(C1CCCC1)N(C)C)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(12(14)15)8-11(13(2)3)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyNBFFJQRRQDRVDN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds5

About 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid

4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid (PubChem CID 116908291) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
PubChem CID116908291
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
SMILESCC(CC(C1CCCC1)N(C)C)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(12(14)15)8-11(13(2)3)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyNBFFJQRRQDRVDN-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908334
4-[1-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxylic acid
CID 116908461
4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908335
(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
CID 93297325
5-cyclobutyl-5-(dimethylamino)pentanoic acid
CID 116907953
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
CID 119850509
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122014139

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid?
The IUPAC name of 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid (CID 116908291) is 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid is CC(CC(C1CCCC1)N(C)C)C(=O)O.
What is the InChIKey of 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid?
The InChIKey is NBFFJQRRQDRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(12(14)15)8-11(13(2)3)10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid?
4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 116908291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).