2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid

C28H41N3O4 — CID 70851230

IUPAC2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid
SMILESCCCOc1nc(N2CCCC(C(C)(C)C(=O)O)C2)ccc1C(=O)N[C@@H]1CCC2CC3CC1CC23
InChIInChI=1S/C28H41N3O4/c1-4-12-35-26-21(25(32)29-23-9-7-17-13-18-14-19(23)15-22(17)18)8-10-24(30-26)31-11-5-6-20(16-31)28(2,3)27(33)34/h8,10,17-20,22-23H,4-7,9,11-16H2,1-3H3,(H,29,32)(H,33,34)/t17?,18?,19?,20?,22?,23-/m1/s1
InChIKeyQPWKCQQJKTYHBP-GXUMUYLRSA-N
MW483.65 g/mol
LogP4.75
Rot. Bonds8

About 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid (PubChem CID 70851230) has the molecular formula C28H41N3O4 and a molecular weight of 483.65 g/mol. Its IUPAC name is 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid
PubChem CID70851230
Molecular FormulaC28H41N3O4
Molecular Weight483.65 g/mol
Exact Mass483.31
IUPAC Name2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid
SMILESCCCOc1nc(N2CCCC(C(C)(C)C(=O)O)C2)ccc1C(=O)N[C@@H]1CCC2CC3CC1CC23
InChIInChI=1S/C28H41N3O4/c1-4-12-35-26-21(25(32)29-23-9-7-17-13-18-14-19(23)15-22(17)18)8-10-24(30-26)31-11-5-6-20(16-31)28(2,3)27(33)34/h8,10,17-20,22-23H,4-7,9,11-16H2,1-3H3,(H,29,32)(H,33,34)/t17?,18?,19?,20?,22?,23-/m1/s1
InChIKeyQPWKCQQJKTYHBP-GXUMUYLRSA-N
XLogP4.75
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid (CID 70851230) is 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid is CCCOc1nc(N2CCCC(C(C)(C)C(=O)O)C2)ccc1C(=O)N[C@@H]1CCC2CC3CC1CC23.
What is the InChIKey of 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid?
The InChIKey is QPWKCQQJKTYHBP-GXUMUYLRSA-N. The full InChI is InChI=1S/C28H41N3O4/c1-4-12-35-26-21(25(32)29-23-9-7-17-13-18-14-19(23)15-22(17)18)8-10-24(30-26)31-11-5-6-20(16-31)28(2,3)27(33)34/h8,10,17-20,22-23H,4-7,9,11-16H2,1-3H3,(H,29,32)(H,33,34)/t17?,18?,19?,20?,22?,23-/m1/s1.
What are the key properties of 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid has a molecular weight of 483.65 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[6-propoxy-5-[[(6R)-6-tricyclo[5.2.1.03,9]decanyl]carbamoyl]-2-pyridinyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 70851230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).