2-methyl-5-(methylamino)pentanoic acid

C7H15NO2 — CID 59942755

IUPAC2-methyl-5-(methylamino)pentanoic acid
SMILESCNCCCC(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-6(7(9)10)4-3-5-8-2/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyQDLXAXXFNGJKHN-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds5

About 2-methyl-5-(methylamino)pentanoic acid

2-methyl-5-(methylamino)pentanoic acid (PubChem CID 59942755) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methyl-5-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(methylamino)pentanoic acid
PubChem CID59942755
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-methyl-5-(methylamino)pentanoic acid
SMILESCNCCCC(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-6(7(9)10)4-3-5-8-2/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyQDLXAXXFNGJKHN-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
CID 104686710
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
CID 20593439
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
CID 115867248
tert-butyl 2-methyl-5-(methylamino)pentanoate
CID 174255913
(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
CID 59831421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(methylamino)pentanoic acid (CID 59942755) is 2-methyl-5-(methylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(methylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(methylamino)pentanoic acid is CNCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(methylamino)pentanoic acid?
The InChIKey is QDLXAXXFNGJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(7(9)10)4-3-5-8-2/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-methyl-5-(methylamino)pentanoic acid?
2-methyl-5-(methylamino)pentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylamino)pentanoic acid is sourced from PubChem (CID 59942755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).