ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate

C13H24N2O3 — CID 63907673

IUPACethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CCOC(C)C1)C1CC1
InChIInChI=1S/C13H24N2O3/c1-3-17-12(16)13(14,11-4-5-11)9-15-6-7-18-10(2)8-15/h10-11H,3-9,14H2,1-2H3
InChIKeyABQGZCUJDRCNLJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.38
Rot. Bonds5

About ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate

ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate (PubChem CID 63907673) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
PubChem CID63907673
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CCOC(C)C1)C1CC1
InChIInChI=1S/C13H24N2O3/c1-3-17-12(16)13(14,11-4-5-11)9-15-6-7-18-10(2)8-15/h10-11H,3-9,14H2,1-2H3
InChIKeyABQGZCUJDRCNLJ-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
ethyl 2-amino-2-cyclopropyl-3-(1,4-oxazepan-4-yl)propanoate
CID 63927435
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
ethyl 2-amino-2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)propanoate
CID 63911116
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate
CID 63907865
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoic acid
CID 63907482
ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596411
methyl 2-amino-2-cyclopropyl-3-(5-ethyl-2-methylmorpholin-4-yl)propanoate
CID 63908889
ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 63906631
2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
CID 62272293
ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate (CID 63907673) is ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate is CCOC(=O)C(N)(CN1CCOC(C)C1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate?
The InChIKey is ABQGZCUJDRCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-17-12(16)13(14,11-4-5-11)9-15-6-7-18-10(2)8-15/h10-11H,3-9,14H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate is sourced from PubChem (CID 63907673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).