2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid

C15H23NO3 — CID 79848948

IUPAC2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CC3CCC2C3)CCC1
InChIInChI=1S/C15H23NO3/c17-13(8-12-7-10-2-3-11(12)6-10)16-15(4-1-5-15)9-14(18)19/h10-12H,1-9H2,(H,16,17)(H,18,19)
InChIKeyMDQRVUKXYAUTDT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79848948) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79848948
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CC3CCC2C3)CCC1
InChIInChI=1S/C15H23NO3/c17-13(8-12-7-10-2-3-11(12)6-10)16-15(4-1-5-15)9-14(18)19/h10-12H,1-9H2,(H,16,17)(H,18,19)
InChIKeyMDQRVUKXYAUTDT-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
CID 62527897
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
1-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81369663
2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
CID 79846171
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide
CID 107422950
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
CID 119217995
2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide
CID 155621422
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid (CID 79848948) is 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CC2CC3CCC2C3)CCC1.
What is the InChIKey of 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is MDQRVUKXYAUTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-13(8-12-7-10-2-3-11(12)6-10)16-15(4-1-5-15)9-14(18)19/h10-12H,1-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).