4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid

C12H20N2O4 — CID 113311788

IUPAC4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
SMILESNCC1(C(=O)NC2(C(=O)O)CCOCC2)CCC1
InChIInChI=1S/C12H20N2O4/c13-8-11(2-1-3-11)9(15)14-12(10(16)17)4-6-18-7-5-12/h1-8,13H2,(H,14,15)(H,16,17)
InChIKeyYUJSLTUVKVRKQX-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.13
Rot. Bonds4

About 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid

4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid (PubChem CID 113311788) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
PubChem CID113311788
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
SMILESNCC1(C(=O)NC2(C(=O)O)CCOCC2)CCC1
InChIInChI=1S/C12H20N2O4/c13-8-11(2-1-3-11)9(15)14-12(10(16)17)4-6-18-7-5-12/h1-8,13H2,(H,14,15)(H,16,17)
InChIKeyYUJSLTUVKVRKQX-UHFFFAOYSA-N
XLogP-0.13
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423
4-(2-aminoethylamino)oxane-4-carboxylic acid
CID 82238938
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid
CID 115292419
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64892980

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid (CID 113311788) is 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid is NCC1(C(=O)NC2(C(=O)O)CCOCC2)CCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid?
The InChIKey is YUJSLTUVKVRKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-8-11(2-1-3-11)9(15)14-12(10(16)17)4-6-18-7-5-12/h1-8,13H2,(H,14,15)(H,16,17).
What are the key properties of 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid?
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 113311788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).