ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate

C13H25NO3 — CID 106488607

IUPACethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate
SMILESCCOC(=O)C(CN)(CC1CCCO1)C(C)C
InChIInChI=1S/C13H25NO3/c1-4-16-12(15)13(9-14,10(2)3)8-11-6-5-7-17-11/h10-11H,4-9,14H2,1-3H3
InChIKeyBUHQDJNGMBBVNN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.72
Rot. Bonds6

About ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate

ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate (PubChem CID 106488607) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate
PubChem CID106488607
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate
SMILESCCOC(=O)C(CN)(CC1CCCO1)C(C)C
InChIInChI=1S/C13H25NO3/c1-4-16-12(15)13(9-14,10(2)3)8-11-6-5-7-17-11/h10-11H,4-9,14H2,1-3H3
InChIKeyBUHQDJNGMBBVNN-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-3-(oxan-2-yl)-2-phenylpropanoate
CID 106509550
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
2-ethoxycarbonyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 103973806
2-ethyl-2-(oxolan-2-ylmethyl)butan-1-amine
CID 62724509
diethyl 2-(oxolan-2-ylmethyl)-2-[(4-phenylphenyl)methyl]propanedioate
CID 70604658
ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64710254
ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106495711
ethyl 2-methyl-2-[[(2S)-oxan-2-yl]methylsulfanyl]propanoate
CID 59268005
ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
CID 66455223
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate (CID 106488607) is ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate is CCOC(=O)C(CN)(CC1CCCO1)C(C)C.
What is the InChIKey of ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate?
The InChIKey is BUHQDJNGMBBVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-16-12(15)13(9-14,10(2)3)8-11-6-5-7-17-11/h10-11H,4-9,14H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate?
ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate has a molecular weight of 243.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-methyl-2-(oxolan-2-ylmethyl)butanoate is sourced from PubChem (CID 106488607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).