3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid

C15H26N2O2 — CID 63910372

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
SMILESCCCNC(CN1CC2CCC1C2)(C(=O)O)C1CC1
InChIInChI=1S/C15H26N2O2/c1-2-7-16-15(14(18)19,12-4-5-12)10-17-9-11-3-6-13(17)8-11/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyHZZPFXPJEDAUTQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.70
Rot. Bonds7

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid

3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid (PubChem CID 63910372) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
PubChem CID63910372
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
SMILESCCCNC(CN1CC2CCC1C2)(C(=O)O)C1CC1
InChIInChI=1S/C15H26N2O2/c1-2-7-16-15(14(18)19,12-4-5-12)10-17-9-11-3-6-13(17)8-11/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyHZZPFXPJEDAUTQ-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63911160
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63913340
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
CID 63927663
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63910370
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
CID 62265643
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine
CID 62260271
2-cyclopropyl-2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926841
2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(ethylamino)propanoic acid
CID 63905545
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid (CID 63910372) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid is CCCNC(CN1CC2CCC1C2)(C(=O)O)C1CC1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid?
The InChIKey is HZZPFXPJEDAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-7-16-15(14(18)19,12-4-5-12)10-17-9-11-3-6-13(17)8-11/h11-13,16H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid has a molecular weight of 266.38 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 63910372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).