2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid

C13H25NO4 — CID 63068837

IUPAC2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid
SMILESCCOC(CCN(C)CC1CCCCO1)C(=O)O
InChIInChI=1S/C13H25NO4/c1-3-17-12(13(15)16)7-8-14(2)10-11-6-4-5-9-18-11/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyKNSNKLUILRKEJJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.37
Rot. Bonds8

About 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid

2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid (PubChem CID 63068837) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid
PubChem CID63068837
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid
SMILESCCOC(CCN(C)CC1CCCCO1)C(=O)O
InChIInChI=1S/C13H25NO4/c1-3-17-12(13(15)16)7-8-14(2)10-11-6-4-5-9-18-11/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyKNSNKLUILRKEJJ-UHFFFAOYSA-N
XLogP1.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
CID 63685554
2-amino-4-[methyl(oxolan-2-ylmethyl)amino]butanamide
CID 63054294
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane
CID 144600542
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid (CID 63068837) is 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid is CCOC(CCN(C)CC1CCCCO1)C(=O)O.
What is the InChIKey of 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
The InChIKey is KNSNKLUILRKEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-17-12(13(15)16)7-8-14(2)10-11-6-4-5-9-18-11/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 63068837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).