2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid

C10H19NO4 — CID 63558292

IUPAC2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
SMILESCCNC(CCOC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-11-9(10(12)13)4-6-15-8-3-5-14-7-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyFTJRLMSBLYTYIQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.24
Rot. Bonds7

About 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid

2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid (PubChem CID 63558292) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
PubChem CID63558292
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
SMILESCCNC(CCOC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-11-9(10(12)13)4-6-15-8-3-5-14-7-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyFTJRLMSBLYTYIQ-UHFFFAOYSA-N
XLogP0.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63557695
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
CID 63558901
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308
ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
CID 102607501
N-ethyl-5-(oxolan-3-yloxy)pentan-2-amine
CID 63557232
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
3-propoxyoxolane
CID 14071397
4-(oxolan-3-yloxy)butan-2-one
CID 63559452
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
CID 63034967
4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid?
The IUPAC name of 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid (CID 63558292) is 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid?
The canonical SMILES for 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid is CCNC(CCOC1CCOC1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid?
The InChIKey is FTJRLMSBLYTYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-11-9(10(12)13)4-6-15-8-3-5-14-7-8/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid?
2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid is sourced from PubChem (CID 63558292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).