5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid

C13H26N2O3 — CID 82847592

IUPAC5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
SMILESCC(CCN)CCC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(8-9-14)6-7-12(16)15-11(2)4-3-5-13(17)18/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyQKOWSBFBFHSNPN-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.51
Rot. Bonds10

About 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid

5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid (PubChem CID 82847592) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
PubChem CID82847592
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
SMILESCC(CCN)CCC(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(8-9-14)6-7-12(16)15-11(2)4-3-5-13(17)18/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyQKOWSBFBFHSNPN-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]hexanoic acid
CID 82847041
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
CID 82846274
5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
CID 82847762
5-(3-methylpentanoylamino)hexanoic acid
CID 114873856
5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
CID 82846309
5-[(2-methylsulfanylacetyl)amino]hexanoic acid
CID 82854400
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
7-amino-4-methylheptanoic acid
CID 57310581
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192
6-amino-N-[(1R)-1-cyclopentylethyl]-4-methylhexanamide
CID 81390503

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid?
The IUPAC name of 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid (CID 82847592) is 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid?
The canonical SMILES for 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid is CC(CCN)CCC(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid?
The InChIKey is QKOWSBFBFHSNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(8-9-14)6-7-12(16)15-11(2)4-3-5-13(17)18/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid?
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.51, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid is sourced from PubChem (CID 82847592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).