3-(ethylamino)oxolane-3-carboxylic acid

C7H13NO3 — CID 63335789

IUPAC3-(ethylamino)oxolane-3-carboxylic acid
SMILESCCNC1(C(=O)O)CCOC1
InChIInChI=1S/C7H13NO3/c1-2-8-7(6(9)10)3-4-11-5-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyGSOWMZNEMRNGFW-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.16
Rot. Bonds3

About 3-(ethylamino)oxolane-3-carboxylic acid

3-(ethylamino)oxolane-3-carboxylic acid (PubChem CID 63335789) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(ethylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(ethylamino)oxolane-3-carboxylic acid
PubChem CID63335789
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(ethylamino)oxolane-3-carboxylic acid
SMILESCCNC1(C(=O)O)CCOC1
InChIInChI=1S/C7H13NO3/c1-2-8-7(6(9)10)3-4-11-5-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyGSOWMZNEMRNGFW-UHFFFAOYSA-N
XLogP-0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-(methylphosphanylamino)oxolane-3-carboxylic acid
CID 89260571
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
3-[3-(ethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893471
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888098
3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893261
3-[[(2R)-2-amino-4-methylpentanoyl]amino]oxolane-3-carboxylic acid
CID 103871073

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(ethylamino)oxolane-3-carboxylic acid (CID 63335789) is 3-(ethylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(ethylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(ethylamino)oxolane-3-carboxylic acid is CCNC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(ethylamino)oxolane-3-carboxylic acid?
The InChIKey is GSOWMZNEMRNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-8-7(6(9)10)3-4-11-5-7/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(ethylamino)oxolane-3-carboxylic acid?
3-(ethylamino)oxolane-3-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 63335789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).