2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid

C17H32N2O2 — CID 83997461

IUPAC2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
SMILESCC(C)(C)CC1CC(NCC2CCC2)CN(CC(=O)O)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)8-14-7-15(18-9-13-5-4-6-13)11-19(10-14)12-16(20)21/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyRAXOGBSMUDHLHS-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.59
Rot. Bonds6

About 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid

2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid (PubChem CID 83997461) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
PubChem CID83997461
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
SMILESCC(C)(C)CC1CC(NCC2CCC2)CN(CC(=O)O)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)8-14-7-15(18-9-13-5-4-6-13)11-19(10-14)12-16(20)21/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyRAXOGBSMUDHLHS-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83994003
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83996991

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid (CID 83997461) is 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid is CC(C)(C)CC1CC(NCC2CCC2)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
The InChIKey is RAXOGBSMUDHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)8-14-7-15(18-9-13-5-4-6-13)11-19(10-14)12-16(20)21/h13-15,18H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid?
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid has a molecular weight of 296.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83997461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).