4-(2-aminoethylamino)oxane-4-carboxylic acid

C8H16N2O3 — CID 82238938

IUPAC4-(2-aminoethylamino)oxane-4-carboxylic acid
SMILESNCCNC1(C(=O)O)CCOCC1
InChIInChI=1S/C8H16N2O3/c9-3-4-10-8(7(11)12)1-5-13-6-2-8/h10H,1-6,9H2,(H,11,12)
InChIKeyWUVNZOSSNCBYID-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.83
Rot. Bonds4

About 4-(2-aminoethylamino)oxane-4-carboxylic acid

4-(2-aminoethylamino)oxane-4-carboxylic acid (PubChem CID 82238938) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(2-aminoethylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminoethylamino)oxane-4-carboxylic acid
PubChem CID82238938
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-(2-aminoethylamino)oxane-4-carboxylic acid
SMILESNCCNC1(C(=O)O)CCOCC1
InChIInChI=1S/C8H16N2O3/c9-3-4-10-8(7(11)12)1-5-13-6-2-8/h10H,1-6,9H2,(H,11,12)
InChIKeyWUVNZOSSNCBYID-UHFFFAOYSA-N
XLogP-0.83
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid
CID 82238247
4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
CID 114991085
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
3-(2-aminoethylamino)thiolane-3-carboxylic acid
CID 82238943
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
CID 113311788
4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid
CID 115292419
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-(3-aminopropylamino)thiane-4-carboxylic acid
CID 114999238
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
N-ethyl-4-(propylamino)oxane-4-carboxamide
CID 147346977
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-aminoethylamino)oxane-4-carboxylic acid (CID 82238938) is 4-(2-aminoethylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-aminoethylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-aminoethylamino)oxane-4-carboxylic acid is NCCNC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(2-aminoethylamino)oxane-4-carboxylic acid?
The InChIKey is WUVNZOSSNCBYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-3-4-10-8(7(11)12)1-5-13-6-2-8/h10H,1-6,9H2,(H,11,12).
What are the key properties of 4-(2-aminoethylamino)oxane-4-carboxylic acid?
4-(2-aminoethylamino)oxane-4-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 82238938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).