3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid

C15H28N2O2 — CID 83996752

IUPAC3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
SMILESCC(C)C1CC(NCC2CC2)CN(CCC(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)13-7-14(16-8-12-3-4-12)10-17(9-13)6-5-15(18)19/h11-14,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyFXZHOYLSJVYOFT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.81
Rot. Bonds7

About 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid

3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid (PubChem CID 83996752) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
PubChem CID83996752
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
SMILESCC(C)C1CC(NCC2CC2)CN(CCC(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)13-7-14(16-8-12-3-4-12)10-17(9-13)6-5-15(18)19/h11-14,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyFXZHOYLSJVYOFT-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoic acid
CID 83992597
3-[3-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoic acid
CID 83992598
3-[3-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoic acid
CID 83992599
3-[3-Butyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoic acid
CID 83992600
3-[3-Propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoic acid
CID 83992601
3-[3-(Cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoic acid
CID 83992602
3-[3-(2,2-Difluoroethylamino)-5-methylpiperidin-1-yl]propanoic acid
CID 83993291
3-[3-(2,2-Difluoroethylamino)-5-ethylpiperidin-1-yl]propanoic acid
CID 83993292
3-[3-(2,2-Difluoroethylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83993293
3-[3-Butyl-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid
CID 83993294
3-[3-(2,2-Difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83993295
3-[3-(Cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid
CID 83993296

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid (CID 83996752) is 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid is CC(C)C1CC(NCC2CC2)CN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid?
The InChIKey is FXZHOYLSJVYOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)13-7-14(16-8-12-3-4-12)10-17(9-13)6-5-15(18)19/h11-14,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid?
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 83996752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).