4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid

C8H14N2O4 — CID 82238247

IUPAC4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid
SMILESNC(=O)CNC1(C(=O)O)CCOCC1
InChIInChI=1S/C8H14N2O4/c9-6(11)5-10-8(7(12)13)1-3-14-4-2-8/h10H,1-5H2,(H2,9,11)(H,12,13)
InChIKeyMWUVKSHYVPDNIX-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.30
Rot. Bonds4

About 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid

4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid (PubChem CID 82238247) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid
PubChem CID82238247
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid
SMILESNC(=O)CNC1(C(=O)O)CCOCC1
InChIInChI=1S/C8H14N2O4/c9-6(11)5-10-8(7(12)13)1-3-14-4-2-8/h10H,1-5H2,(H2,9,11)(H,12,13)
InChIKeyMWUVKSHYVPDNIX-UHFFFAOYSA-N
XLogP-1.30
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
4-(2-aminoethylamino)oxane-4-carboxylic acid
CID 82238938
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
CID 114991085
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
CID 113311788
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
4-(4-aminopentanoylamino)oxane-4-carboxylic acid
CID 115292369
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid (CID 82238247) is 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid is NC(=O)CNC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid?
The InChIKey is MWUVKSHYVPDNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-6(11)5-10-8(7(12)13)1-3-14-4-2-8/h10H,1-5H2,(H2,9,11)(H,12,13).
What are the key properties of 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid?
4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 82238247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).