benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate

C18H23NO3 — CID 11920174

IUPACbenzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO3/c20-17(10-16-9-14-6-7-15(16)8-14)19-11-18(21)22-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,19,20)/t14-,15+,16-/m0/s1
InChIKeyMWFBKVBUPOFNAY-XHSDSOJGSA-N
MW301.39 g/mol
LogP2.67
Rot. Bonds6

About benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate

benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate (PubChem CID 11920174) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate
PubChem CID11920174
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namebenzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO3/c20-17(10-16-9-14-6-7-15(16)8-14)19-11-18(21)22-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,19,20)/t14-,15+,16-/m0/s1
InChIKeyMWFBKVBUPOFNAY-XHSDSOJGSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate with MolForge

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Related Compounds

[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102449
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32602785
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831
(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 51146705
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 98286894
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate (CID 11920174) is benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate is O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate?
The InChIKey is MWFBKVBUPOFNAY-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(10-16-9-14-6-7-15(16)8-14)19-11-18(21)22-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H,19,20)/t14-,15+,16-/m0/s1.
What are the key properties of benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate?
benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate has a molecular weight of 301.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate is sourced from PubChem (CID 11920174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).