3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid

C17H27NO3 — CID 62216258

IUPAC3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C17H27NO3/c19-16(11-14-10-12-4-5-13(14)9-12)18-8-2-1-3-15(18)6-7-17(20)21/h12-15H,1-11H2,(H,20,21)
InChIKeyBNCRNGGYBZXFCL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.06
Rot. Bonds5

About 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid

3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid (PubChem CID 62216258) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
PubChem CID62216258
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C17H27NO3/c19-16(11-14-10-12-4-5-13(14)9-12)18-8-2-1-3-15(18)6-7-17(20)21/h12-15H,1-11H2,(H,20,21)
InChIKeyBNCRNGGYBZXFCL-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-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

Related Compounds

3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62215608
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 79546050
3-[(2S)-1-[2-(thian-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 124596541
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid
CID 62216026
3-[(2S)-1-(2-cyclohexyloxyacetyl)piperidin-2-yl]propanoic acid
CID 124699624
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775466

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid (CID 62216258) is 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)CC1CC2CCC1C2.
What is the InChIKey of 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid?
The InChIKey is BNCRNGGYBZXFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c19-16(11-14-10-12-4-5-13(14)9-12)18-8-2-1-3-15(18)6-7-17(20)21/h12-15H,1-11H2,(H,20,21).
What are the key properties of 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid?
3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid has a molecular weight of 293.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).