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

C11H22N2O2 — CID 63956082

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

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

methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate (PubChem CID 63956082) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate
PubChem CID63956082
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate
SMILESCCN(CCC(N)C(=O)OC)CC1CC1
InChIInChI=1S/C11H22N2O2/c1-3-13(8-9-4-5-9)7-6-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyKFQBIJAKZDBDBM-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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Related Compounds

methyl 2-amino-3-[cyclopropylmethyl(ethyl)amino]propanoate
CID 63955898
methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate
CID 63054893
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
methyl 2-amino-4-[cyclopentyl(ethyl)amino]butanoate
CID 63027486
methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
CID 63054415
1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
CID 81101411
methyl 2-amino-4-[(3-amino-4-methoxy-4-oxobutyl)-(4-hydroxybutyl)amino]butanoate
CID 59716022
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
CID 55143357
5-[cyclopropylmethyl(ethyl)amino]pentanehydrazide
CID 63940685

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate?
The IUPAC name of methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate (CID 63956082) is methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate.
What is the SMILES notation for methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate?
The canonical SMILES for methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate is CCN(CCC(N)C(=O)OC)CC1CC1.
What is the InChIKey of methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate?
The InChIKey is KFQBIJAKZDBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-13(8-9-4-5-9)7-6-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate?
methyl 2-amino-4-[cyclopropylmethyl(ethyl)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 methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate is sourced from PubChem (CID 63956082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).