2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid

C12H23NO3 — CID 82743302

IUPAC2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid
SMILESCCC(CC)(CN(C)C1CCOC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-4-12(5-2,11(14)15)9-13(3)10-6-7-16-8-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyKAFIQGHZGZYOIZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid

2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid (PubChem CID 82743302) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid
PubChem CID82743302
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid
SMILESCCC(CC)(CN(C)C1CCOC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-4-12(5-2,11(14)15)9-13(3)10-6-7-16-8-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyKAFIQGHZGZYOIZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cycloheptyl(methyl)amino]methyl]-2-ethylbutanoic acid
CID 55056559
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butane-1-thiol
CID 82744856
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743370
3,3-dimethyl-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 115220305
2-ethyl-N,N',2-trimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744251
ethyl 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanoate
CID 82744284
N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744178
(Z)-2-methyl-4-[methyl(oxolan-3-yl)amino]but-2-enoic acid
CID 82741966
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
N-butyl-N-methyloxolan-3-amine
CID 154189060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid (CID 82743302) is 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid is CCC(CC)(CN(C)C1CCOC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid?
The InChIKey is KAFIQGHZGZYOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-12(5-2,11(14)15)9-13(3)10-6-7-16-8-10/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid?
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 82743302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).