3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid

C16H30N2O2 — CID 83994612

IUPAC3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
SMILESCC(C)CNC1CC(CCC(=O)O)CN(CC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)8-17-15-7-14(5-6-16(19)20)10-18(11-15)9-13-3-4-13/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyCYUGIHANXRBPDL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.20
Rot. Bonds8

About 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid

3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid (PubChem CID 83994612) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
PubChem CID83994612
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
SMILESCC(C)CNC1CC(CCC(=O)O)CN(CC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)8-17-15-7-14(5-6-16(19)20)10-18(11-15)9-13-3-4-13/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyCYUGIHANXRBPDL-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226
3-[1-(2-amino-2-oxoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propanoic acid
CID 83996834
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid (CID 83994612) is 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid is CC(C)CNC1CC(CCC(=O)O)CN(CC2CC2)C1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid?
The InChIKey is CYUGIHANXRBPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)8-17-15-7-14(5-6-16(19)20)10-18(11-15)9-13-3-4-13/h12-15,17H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid?
3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83994612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).