ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate

C18H32N2O2 — CID 102538577

IUPACethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOC(=O)C(N)C1(N2CCCC2)CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H32N2O2/c1-5-22-15(21)14(19)18(20-10-6-7-11-20)12-13-8-9-17(18,4)16(13,2)3/h13-14H,5-12,19H2,1-4H3
InChIKeyOGDIXAHVHSKMKS-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.56
Rot. Bonds4

About ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate

ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 102538577) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID102538577
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nameethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOC(=O)C(N)C1(N2CCCC2)CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H32N2O2/c1-5-22-15(21)14(19)18(20-10-6-7-11-20)12-13-8-9-17(18,4)16(13,2)3/h13-14H,5-12,19H2,1-4H3
InChIKeyOGDIXAHVHSKMKS-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate with MolForge

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Related Compounds

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
(2R)-3-amino-2-[(1S,2R,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129370284
(2R)-3-amino-2-[(1R,2S,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 124853032
ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 129370275
(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129374759
ethyl (2R)-3-amino-2-[(1R,2R,4S)-2-(dimethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoate
CID 129374762
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
CID 142620521
ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate (CID 102538577) is ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate is CCOC(=O)C(N)C1(N2CCCC2)CC2CCC1(C)C2(C)C.
What is the InChIKey of ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is OGDIXAHVHSKMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-5-22-15(21)14(19)18(20-10-6-7-11-20)12-13-8-9-17(18,4)16(13,2)3/h13-14H,5-12,19H2,1-4H3.
What are the key properties of ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate?
ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 308.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 102538577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).