3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C14H21NO3 — CID 103925600

IUPAC3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(CC1CCC1)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H21NO3/c16-11(6-8-2-1-3-8)15-13-10-5-4-9(7-10)12(13)14(17)18/h8-10,12-13H,1-7H2,(H,15,16)(H,17,18)
InChIKeyLQUGVXGXQNEXSI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds4

About 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 103925600) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID103925600
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(CC1CCC1)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H21NO3/c16-11(6-8-2-1-3-8)15-13-10-5-4-9(7-10)12(13)14(17)18/h8-10,12-13H,1-7H2,(H,15,16)(H,17,18)
InChIKeyLQUGVXGXQNEXSI-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79260494
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 102865451
3-[(2-piperidin-4-ylsulfanylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 114627631
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103790663
(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66674234
3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 113382120
3-[(4-propylcycloheptyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65090798
3-[(2-methylcyclopentyl)methylcarbamoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 107419885
3-(dimethylaminocarbamoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 83020284
(1S,2R,3R,4S)-3-[[(2S)-2-[(2-cyclohexylacetyl)amino]propanoyl]amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 124853614
3-[(1-methylcyclohexanecarbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 106826315
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 103925600) is 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(CC1CCC1)NC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is LQUGVXGXQNEXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-11(6-8-2-1-3-8)15-13-10-5-4-9(7-10)12(13)14(17)18/h8-10,12-13H,1-7H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 103925600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).