6-amino-2-methylhexanoic acid;2-methylhexanoic acid

C14H29NO4 — CID 157205316

IUPAC6-amino-2-methylhexanoic acid;2-methylhexanoic acid
SMILESCC(CCCCN)C(=O)O.CCCCC(C)C(=O)O
InChIInChI=1S/C7H15NO2.C7H14O2/c1-6(7(9)10)4-2-3-5-8;1-3-4-5-6(2)7(8)9/h6H,2-5,8H2,1H3,(H,9,10);6H,3-5H2,1-2H3,(H,8,9)
InChIKeyARGYZGCBHRSKRV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.73
Rot. Bonds9

About 6-amino-2-methylhexanoic acid;2-methylhexanoic acid

6-amino-2-methylhexanoic acid;2-methylhexanoic acid (PubChem CID 157205316) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-amino-2-methylhexanoic acid;2-methylhexanoic acid.

Molecular Properties

Compound Name6-amino-2-methylhexanoic acid;2-methylhexanoic acid
PubChem CID157205316
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name6-amino-2-methylhexanoic acid;2-methylhexanoic acid
SMILESCC(CCCCN)C(=O)O.CCCCC(C)C(=O)O
InChIInChI=1S/C7H15NO2.C7H14O2/c1-6(7(9)10)4-2-3-5-8;1-3-4-5-6(2)7(8)9/h6H,2-5,8H2,1H3,(H,9,10);6H,3-5H2,1-2H3,(H,8,9)
InChIKeyARGYZGCBHRSKRV-UHFFFAOYSA-N
XLogP2.73
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.73
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

(2R)-6-amino-2-methylhexanoic acid
CID 92976969
calcium;hydride;2-methylhexanoic acid
CID 173227921
methanol;2-methylheptanoic acid
CID 174821979
heptane;2-methylheptadecanoic acid
CID 175511035
2-methyloctanoic acid chloride
CID 86745562
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2,11-dimethylhexadecanoic acid
CID 22251936
2,9,10-trimethyloctadecanoic acid
CID 14298664
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
2-methylhexanoic acid;2-methylhexan-1-ol
CID 91342233
(2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid
CID 87447047
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylhexanoic acid;2-methylhexanoic acid?
The IUPAC name of 6-amino-2-methylhexanoic acid;2-methylhexanoic acid (CID 157205316) is 6-amino-2-methylhexanoic acid;2-methylhexanoic acid.
What is the SMILES notation for 6-amino-2-methylhexanoic acid;2-methylhexanoic acid?
The canonical SMILES for 6-amino-2-methylhexanoic acid;2-methylhexanoic acid is CC(CCCCN)C(=O)O.CCCCC(C)C(=O)O.
What is the InChIKey of 6-amino-2-methylhexanoic acid;2-methylhexanoic acid?
The InChIKey is ARGYZGCBHRSKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C7H14O2/c1-6(7(9)10)4-2-3-5-8;1-3-4-5-6(2)7(8)9/h6H,2-5,8H2,1H3,(H,9,10);6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 6-amino-2-methylhexanoic acid;2-methylhexanoic acid?
6-amino-2-methylhexanoic acid;2-methylhexanoic acid has a molecular weight of 275.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylhexanoic acid;2-methylhexanoic acid is sourced from PubChem (CID 157205316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).