methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate

C14H25N3O2 — CID 83985995

IUPACmethyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
SMILESCOC(=O)C(N)CC1C2C(CN1C)C1CCN2CC1
InChIInChI=1S/C14H25N3O2/c1-16-8-10-9-3-5-17(6-4-9)13(10)12(16)7-11(15)14(18)19-2/h9-13H,3-8,15H2,1-2H3
InChIKeyZEEGHPOPDRPEMQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP-0.10
Rot. Bonds3

About methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate

methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate (PubChem CID 83985995) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
PubChem CID83985995
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namemethyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
SMILESCOC(=O)C(N)CC1C2C(CN1C)C1CCN2CC1
InChIInChI=1S/C14H25N3O2/c1-16-8-10-9-3-5-17(6-4-9)13(10)12(16)7-11(15)14(18)19-2/h9-13H,3-8,15H2,1-2H3
InChIKeyZEEGHPOPDRPEMQ-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate with MolForge

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Related Compounds

methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate
CID 83986068
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
CID 83982223
1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
CID 83986048
2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine
CID 112541034
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
methyl (2S)-2-amino-4-(4-methylpiperazin-1-yl)butanoate
CID 94964874
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730214
methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate
CID 123162139
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate (CID 83985995) is methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate is COC(=O)C(N)CC1C2C(CN1C)C1CCN2CC1.
What is the InChIKey of methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate?
The InChIKey is ZEEGHPOPDRPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16-8-10-9-3-5-17(6-4-9)13(10)12(16)7-11(15)14(18)19-2/h9-13H,3-8,15H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate?
methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate has a molecular weight of 267.37 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate is sourced from PubChem (CID 83985995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).