4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid

C15H29NO2 — CID 122127314

IUPAC4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid
SMILESCC(CCC1CCCC1)NCCC(C)(C)C(=O)O
InChIInChI=1S/C15H29NO2/c1-12(8-9-13-6-4-5-7-13)16-11-10-15(2,3)14(17)18/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyRVBKVRDIUKSBES-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.44
Rot. Bonds8

About 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid

4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid (PubChem CID 122127314) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid
PubChem CID122127314
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid
SMILESCC(CCC1CCCC1)NCCC(C)(C)C(=O)O
InChIInChI=1S/C15H29NO2/c1-12(8-9-13-6-4-5-7-13)16-11-10-15(2,3)14(17)18/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyRVBKVRDIUKSBES-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115721085
4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine
CID 115720838
4-(cyclohexylmethylsulfonylamino)-2,2-dimethylbutanoic acid
CID 114285500
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807
(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
4-[(4-cyclohexylbutan-2-ylamino)methyl]benzoic acid
CID 122031433
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
4-(cyclobutylamino)-2,2-dimethylbutanoic acid
CID 115221054
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
CID 115725107

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid (CID 122127314) is 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid is CC(CCC1CCCC1)NCCC(C)(C)C(=O)O.
What is the InChIKey of 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid?
The InChIKey is RVBKVRDIUKSBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(8-9-13-6-4-5-7-13)16-11-10-15(2,3)14(17)18/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid?
4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122127314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).