2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid

C15H30N2O2 — CID 83995675

IUPAC2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
SMILESCC(C)CCNC1CC(CC(=O)O)CN(C(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)5-6-16-14-7-13(8-15(18)19)9-17(10-14)12(3)4/h11-14,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyVTCLMMAHYUAVSY-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.20
Rot. Bonds7

About 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid

2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid (PubChem CID 83995675) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
PubChem CID83995675
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
SMILESCC(C)CCNC1CC(CC(=O)O)CN(C(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)5-6-16-14-7-13(8-15(18)19)9-17(10-14)12(3)4/h11-14,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyVTCLMMAHYUAVSY-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992214
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83989667
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid (CID 83995675) is 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid is CC(C)CCNC1CC(CC(=O)O)CN(C(C)C)C1.
What is the InChIKey of 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The InChIKey is VTCLMMAHYUAVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)5-6-16-14-7-13(8-15(18)19)9-17(10-14)12(3)4/h11-14,16H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid has a molecular weight of 270.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 83995675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).