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

C14H24F2N2O2 — CID 83993296

IUPAC3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(CC2CC2)CC(NCC(F)F)C1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)7-17-12-6-11(5-10-1-2-10)8-18(9-12)4-3-14(19)20/h10-13,17H,1-9H2,(H,19,20)
InChIKeyWILWHSHTRWSJLT-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.81
Rot. Bonds8

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

3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid (PubChem CID 83993296) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid
PubChem CID83993296
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(CC2CC2)CC(NCC(F)F)C1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)7-17-12-6-11(5-10-1-2-10)8-18(9-12)4-3-14(19)20/h10-13,17H,1-9H2,(H,19,20)
InChIKeyWILWHSHTRWSJLT-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65530439
2-(Cyclopropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65531802
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
Methyl 3-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propanoate
CID 83992609
2-[3-(Cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetic acid
CID 83992617
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid (CID 83993296) is 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid is O=C(O)CCN1CC(CC2CC2)CC(NCC(F)F)C1.
What is the InChIKey of 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid?
The InChIKey is WILWHSHTRWSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c15-13(16)7-17-12-6-11(5-10-1-2-10)8-18(9-12)4-3-14(19)20/h10-13,17H,1-9H2,(H,19,20).
What are the key properties of 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid?
3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid has a molecular weight of 290.35 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 83993296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).