2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate

C17H21NO3 — CID 134050748

IUPAC2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C17H21NO3/c1-11(18-16(19)13-5-3-2-4-6-13)17(20)21-15-10-12-7-8-14(15)9-12/h2-6,11-12,14-15H,7-10H2,1H3,(H,18,19)
InChIKeyNZOPSNYQMGOLKC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate

2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate (PubChem CID 134050748) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate
PubChem CID134050748
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C17H21NO3/c1-11(18-16(19)13-5-3-2-4-6-13)17(20)21-15-10-12-7-8-14(15)9-12/h2-6,11-12,14-15H,7-10H2,1H3,(H,18,19)
InChIKeyNZOPSNYQMGOLKC-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
CID 11593734
[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] (2S)-2-benzamidopropanoate
CID 10042224
methyl (2S)-2-benzamidopropanoate
CID 6364617
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate
CID 150736064
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate
CID 11396593
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
propyl 2-benzamidopropanoate
CID 71628004
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate (CID 134050748) is 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate is CC(NC(=O)c1ccccc1)C(=O)OC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate?
The InChIKey is NZOPSNYQMGOLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(18-16(19)13-5-3-2-4-6-13)17(20)21-15-10-12-7-8-14(15)9-12/h2-6,11-12,14-15H,7-10H2,1H3,(H,18,19).
What are the key properties of 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate?
2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate has a molecular weight of 287.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl 2-benzamidopropanoate is sourced from PubChem (CID 134050748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).