2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid

C13H21NO3 — CID 43631080

IUPAC2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C13H21NO3/c1-2-3-11(13(16)17)14-12(15)10-7-8-4-5-9(10)6-8/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyOUDCWZPQDSZPDQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds5

About 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid

2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid (PubChem CID 43631080) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
PubChem CID43631080
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C13H21NO3/c1-2-3-11(13(16)17)14-12(15)10-7-8-4-5-9(10)6-8/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyOUDCWZPQDSZPDQ-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bicyclo[2.2.1]heptane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786792
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid
CID 43209835
(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid
CID 107565970
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742
N-(1-chlorobutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114294540
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65191228
N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114177972

Frequently Asked Questions

What is the IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid?
The IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid (CID 43631080) is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid is CCCC(NC(=O)C1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid?
The InChIKey is OUDCWZPQDSZPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-11(13(16)17)14-12(15)10-7-8-4-5-9(10)6-8/h8-11H,2-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid?
2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 43631080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).