methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate

C13H26N2O2 — CID 63916861

IUPACmethyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
SMILESCOC(=O)C(N)(CN(C)CCC(C)C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)7-8-15(3)9-13(14,11-5-6-11)12(16)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyIJBBNEDIMZJMSO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds7

About methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate

methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate (PubChem CID 63916861) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
PubChem CID63916861
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
SMILESCOC(=O)C(N)(CN(C)CCC(C)C)C1CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)7-8-15(3)9-13(14,11-5-6-11)12(16)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyIJBBNEDIMZJMSO-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63927657
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
methyl 2-amino-2-cyclopropyl-3-(3-methylbutylsulfanyl)propanoate
CID 107756174
methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
CID 63910171
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 64818466
2-amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63925804
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate (CID 63916861) is methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate is COC(=O)C(N)(CN(C)CCC(C)C)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate?
The InChIKey is IJBBNEDIMZJMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)7-8-15(3)9-13(14,11-5-6-11)12(16)17-4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate?
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate is sourced from PubChem (CID 63916861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).