3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid

C15H21NO3 — CID 113354348

IUPAC3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid
SMILESO=C(O)C(CC1CC1)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H21NO3/c17-14(16-10(15(18)19)5-7-1-2-7)13-11-8-3-4-9(6-8)12(11)13/h7-13H,1-6H2,(H,16,17)(H,18,19)
InChIKeyMHDISEMXNDSJES-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds5

About 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid

3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid (PubChem CID 113354348) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid
PubChem CID113354348
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid
SMILESO=C(O)C(CC1CC1)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C15H21NO3/c17-14(16-10(15(18)19)5-7-1-2-7)13-11-8-3-4-9(6-8)12(11)13/h7-13H,1-6H2,(H,16,17)(H,18,19)
InChIKeyMHDISEMXNDSJES-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid?
The IUPAC name of 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid (CID 113354348) is 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid is O=C(O)C(CC1CC1)NC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid?
The InChIKey is MHDISEMXNDSJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(16-10(15(18)19)5-7-1-2-7)13-11-8-3-4-9(6-8)12(11)13/h7-13H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid?
3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid is sourced from PubChem (CID 113354348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).