ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate

C18H34N2O2 — CID 129370275

IUPACethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCCOC(=O)[C@@H](N)[C@]1(N(CC)CC)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C18H34N2O2/c1-7-20(8-2)18(14(19)15(21)22-9-3)12-13-10-11-17(18,6)16(13,4)5/h13-14H,7-12,19H2,1-6H3/t13-,14-,17-,18-/m1/s1
InChIKeyCOPNRBGCMYZHMV-DTTOXWODSA-N
MW310.48 g/mol
LogP2.80
Rot. Bonds6

About ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate

ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate (PubChem CID 129370275) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
PubChem CID129370275
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nameethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCCOC(=O)[C@@H](N)[C@]1(N(CC)CC)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C18H34N2O2/c1-7-20(8-2)18(14(19)15(21)22-9-3)12-13-10-11-17(18,6)16(13,4)5/h13-14H,7-12,19H2,1-6H3/t13-,14-,17-,18-/m1/s1
InChIKeyCOPNRBGCMYZHMV-DTTOXWODSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate with MolForge

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Related Compounds

ethyl (2R)-3-amino-2-[(1R,2R,4S)-2-(dimethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoate
CID 129374762
ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate
CID 102538577
ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate
CID 124747559
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 11043803
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide
CID 10466783
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pentan-1-one
CID 25136841
(2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl) 2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 141422375
propan-2-yl 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 102378092
[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate
CID 163406255

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate?
The IUPAC name of ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate (CID 129370275) is ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate.
What is the SMILES notation for ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate?
The canonical SMILES for ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate is CCOC(=O)[C@@H](N)[C@]1(N(CC)CC)C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate?
The InChIKey is COPNRBGCMYZHMV-DTTOXWODSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-7-20(8-2)18(14(19)15(21)22-9-3)12-13-10-11-17(18,6)16(13,4)5/h13-14H,7-12,19H2,1-6H3/t13-,14-,17-,18-/m1/s1.
What are the key properties of ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate?
ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate has a molecular weight of 310.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate is sourced from PubChem (CID 129370275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).