4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid

C13H24N2O4 — CID 115292419

IUPAC4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid
SMILESCC(CCN)CCC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H24N2O4/c1-10(4-7-14)2-3-11(16)15-13(12(17)18)5-8-19-9-6-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyHDHQAHDVCSNSGR-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.50
Rot. Bonds7

About 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid

4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid (PubChem CID 115292419) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid
PubChem CID115292419
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid
SMILESCC(CCN)CCC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H24N2O4/c1-10(4-7-14)2-3-11(16)15-13(12(17)18)5-8-19-9-6-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyHDHQAHDVCSNSGR-UHFFFAOYSA-N
XLogP0.50
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminopentanoylamino)oxane-4-carboxylic acid
CID 115292369
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
1-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]cyclobutane-1-carboxylic acid
CID 81162326
4-(2-aminoethylamino)oxane-4-carboxylic acid
CID 82238938
4-(4-ethoxybutanoylamino)oxane-4-carboxylic acid
CID 113280130
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]oxane-4-carboxylic acid
CID 113311788
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
6-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]hexanamide
CID 114115149
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
4-(6-methylheptan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 115292985

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid (CID 115292419) is 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid is CC(CCN)CCC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid?
The InChIKey is HDHQAHDVCSNSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(4-7-14)2-3-11(16)15-13(12(17)18)5-8-19-9-6-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid?
4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).