6-(5-aminopentanoylamino)-2-methylheptanoic acid

C13H26N2O3 — CID 65286275

IUPAC6-(5-aminopentanoylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CCCCN
InChIInChI=1S/C13H26N2O3/c1-10(13(17)18)6-5-7-11(2)15-12(16)8-3-4-9-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWEGANHXBJLTSIN-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.51
Rot. Bonds10

About 6-(5-aminopentanoylamino)-2-methylheptanoic acid

6-(5-aminopentanoylamino)-2-methylheptanoic acid (PubChem CID 65286275) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-(5-aminopentanoylamino)-2-methylheptanoic acid.

Molecular Properties

Compound Name6-(5-aminopentanoylamino)-2-methylheptanoic acid
PubChem CID65286275
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-(5-aminopentanoylamino)-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CCCCN
InChIInChI=1S/C13H26N2O3/c1-10(13(17)18)6-5-7-11(2)15-12(16)8-3-4-9-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWEGANHXBJLTSIN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
N-(6-aminohexan-2-yl)octanamide
CID 123172105
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
6-[(4-amino-4-methylpentanoyl)amino]-2-methylheptanoic acid
CID 65286229
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
6-[(4-amino-3-methylbutanoyl)amino]-2-methylheptanoic acid
CID 81080313
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
CID 119796530

Frequently Asked Questions

What is the IUPAC name of 6-(5-aminopentanoylamino)-2-methylheptanoic acid?
The IUPAC name of 6-(5-aminopentanoylamino)-2-methylheptanoic acid (CID 65286275) is 6-(5-aminopentanoylamino)-2-methylheptanoic acid.
What is the SMILES notation for 6-(5-aminopentanoylamino)-2-methylheptanoic acid?
The canonical SMILES for 6-(5-aminopentanoylamino)-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)CCCCN.
What is the InChIKey of 6-(5-aminopentanoylamino)-2-methylheptanoic acid?
The InChIKey is WEGANHXBJLTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(13(17)18)6-5-7-11(2)15-12(16)8-3-4-9-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-(5-aminopentanoylamino)-2-methylheptanoic acid?
6-(5-aminopentanoylamino)-2-methylheptanoic 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 6-(5-aminopentanoylamino)-2-methylheptanoic acid is sourced from PubChem (CID 65286275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).