ethyl 3-amino-1-tert-butylazetidine-3-carboxylate

C10H20N2O2 — CID 102391991

IUPACethyl 3-amino-1-tert-butylazetidine-3-carboxylate
SMILESCCOC(=O)C1(N)CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-5-14-8(13)10(11)6-12(7-10)9(2,3)4/h5-7,11H2,1-4H3
InChIKeyJFPOXSYIXWDPHT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds2

About ethyl 3-amino-1-tert-butylazetidine-3-carboxylate

ethyl 3-amino-1-tert-butylazetidine-3-carboxylate (PubChem CID 102391991) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 3-amino-1-tert-butylazetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-tert-butylazetidine-3-carboxylate
PubChem CID102391991
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 3-amino-1-tert-butylazetidine-3-carboxylate
SMILESCCOC(=O)C1(N)CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-5-14-8(13)10(11)6-12(7-10)9(2,3)4/h5-7,11H2,1-4H3
InChIKeyJFPOXSYIXWDPHT-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-chloro-1-(2-methylbutan-2-yl)azetidine-3-carboxylate
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1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
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CID 103563412
1-O-tert-butyl 3-O-ethyl 3-(1-aminocyclopropyl)azetidine-1,3-dicarboxylate
CID 59558418
ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883
1-O-tert-butyl 2-O-ethyl 2-acetylaziridine-1,2-dicarboxylate
CID 15506301
ethyl 2-amino-1,3-dihydrophenalene-2-carboxylate
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ethyl 1-fluorocyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-tert-butylazetidine-3-carboxylate?
The IUPAC name of ethyl 3-amino-1-tert-butylazetidine-3-carboxylate (CID 102391991) is ethyl 3-amino-1-tert-butylazetidine-3-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-tert-butylazetidine-3-carboxylate?
The canonical SMILES for ethyl 3-amino-1-tert-butylazetidine-3-carboxylate is CCOC(=O)C1(N)CN(C(C)(C)C)C1.
What is the InChIKey of ethyl 3-amino-1-tert-butylazetidine-3-carboxylate?
The InChIKey is JFPOXSYIXWDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-14-8(13)10(11)6-12(7-10)9(2,3)4/h5-7,11H2,1-4H3.
What are the key properties of ethyl 3-amino-1-tert-butylazetidine-3-carboxylate?
ethyl 3-amino-1-tert-butylazetidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-tert-butylazetidine-3-carboxylate is sourced from PubChem (CID 102391991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).