ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate

C11H22N2O2 — CID 63054415

IUPACethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)CC1CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)10(12)6-7-13(2)8-9-4-5-9/h9-10H,3-8,12H2,1-2H3
InChIKeyIYVBVZPTODCUSL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds7

About ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate

ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate (PubChem CID 63054415) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
PubChem CID63054415
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)CC1CC1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)10(12)6-7-13(2)8-9-4-5-9/h9-10H,3-8,12H2,1-2H3
InChIKeyIYVBVZPTODCUSL-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate?
The IUPAC name of ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate (CID 63054415) is ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate?
The canonical SMILES for ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate is CCOC(=O)C(N)CCN(C)CC1CC1.
What is the InChIKey of ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate?
The InChIKey is IYVBVZPTODCUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)10(12)6-7-13(2)8-9-4-5-9/h9-10H,3-8,12H2,1-2H3.
What are the key properties of ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate?
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate is sourced from PubChem (CID 63054415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).