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

C18H32N2O3 — CID 124747559

IUPACethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCCOC(=O)[C@H](N)[C@@]1(N2CCOCC2)C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H32N2O3/c1-5-23-15(21)14(19)18(20-8-10-22-11-9-20)12-13-6-7-17(18,4)16(13,2)3/h13-14H,5-12,19H2,1-4H3/t13-,14+,17+,18+/m1/s1
InChIKeySWNZLWUXFFBWHH-BODMPHMZSA-N
MW324.47 g/mol
LogP1.79
Rot. Bonds4

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

ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate (PubChem CID 124747559) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate
PubChem CID124747559
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nameethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCCOC(=O)[C@H](N)[C@@]1(N2CCOCC2)C[C@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H32N2O3/c1-5-23-15(21)14(19)18(20-8-10-22-11-9-20)12-13-6-7-17(18,4)16(13,2)3/h13-14H,5-12,19H2,1-4H3/t13-,14+,17+,18+/m1/s1
InChIKeySWNZLWUXFFBWHH-BODMPHMZSA-N
XLogP1.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

ethyl 2-amino-2-(1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl)acetate
CID 102538577
(2R)-3-amino-2-[(1R,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129370289
ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 129370275
ethyl (2R)-3-amino-2-[(1R,2R,4S)-2-(dimethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoate
CID 129374762
(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
(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 (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 2,2-bis(4-methyloxan-4-yl)acetate
CID 175344737
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
CID 64528602
ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
CID 106664180
3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid
CID 106823937
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate?
The IUPAC name of 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) is ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate.
What is the SMILES notation for ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate?
The canonical SMILES for ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate is CCOC(=O)[C@H](N)[C@@]1(N2CCOCC2)C[C@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate?
The InChIKey is SWNZLWUXFFBWHH-BODMPHMZSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-5-23-15(21)14(19)18(20-8-10-22-11-9-20)12-13-6-7-17(18,4)16(13,2)3/h13-14H,5-12,19H2,1-4H3/t13-,14+,17+,18+/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate?
ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate has a molecular weight of 324.47 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]acetate is sourced from PubChem (CID 124747559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).