4-(4-aminobutanoylamino)oxane-4-carboxylic acid

C10H18N2O4 — CID 115292423

IUPAC4-(4-aminobutanoylamino)oxane-4-carboxylic acid
SMILESNCCCC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H18N2O4/c11-5-1-2-8(13)12-10(9(14)15)3-6-16-7-4-10/h1-7,11H2,(H,12,13)(H,14,15)
InChIKeyWOMGGFFQTMZCDX-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.52
Rot. Bonds5

About 4-(4-aminobutanoylamino)oxane-4-carboxylic acid

4-(4-aminobutanoylamino)oxane-4-carboxylic acid (PubChem CID 115292423) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(4-aminobutanoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminobutanoylamino)oxane-4-carboxylic acid
PubChem CID115292423
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(4-aminobutanoylamino)oxane-4-carboxylic acid
SMILESNCCCC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H18N2O4/c11-5-1-2-8(13)12-10(9(14)15)3-6-16-7-4-10/h1-7,11H2,(H,12,13)(H,14,15)
InChIKeyWOMGGFFQTMZCDX-UHFFFAOYSA-N
XLogP-0.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid
CID 115292419
4-(4-aminopentanoylamino)oxane-4-carboxylic acid
CID 115292369
4-(4-ethoxybutanoylamino)oxane-4-carboxylic acid
CID 113280130
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
CID 106298777
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
CID 113311788
4-(2-aminoethylamino)oxane-4-carboxylic acid
CID 82238938
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]oxane-4-carboxylic acid
CID 115292476
1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119296103

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(4-aminobutanoylamino)oxane-4-carboxylic acid (CID 115292423) is 4-(4-aminobutanoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(4-aminobutanoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(4-aminobutanoylamino)oxane-4-carboxylic acid is NCCCC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(4-aminobutanoylamino)oxane-4-carboxylic acid?
The InChIKey is WOMGGFFQTMZCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-5-1-2-8(13)12-10(9(14)15)3-6-16-7-4-10/h1-7,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-(4-aminobutanoylamino)oxane-4-carboxylic acid?
4-(4-aminobutanoylamino)oxane-4-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115292423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).