5-(methylamino)pentanoic acid

C6H13NO2 — CID 11665412

IUPAC5-(methylamino)pentanoic acid
SMILESCNCCCCC(=O)O
InChIInChI=1S/C6H13NO2/c1-7-5-3-2-4-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyCMVZMERLBCRJAH-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds5

About 5-(methylamino)pentanoic acid

5-(methylamino)pentanoic acid (PubChem CID 11665412) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 5-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(methylamino)pentanoic acid
PubChem CID11665412
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name5-(methylamino)pentanoic acid
SMILESCNCCCCC(=O)O
InChIInChI=1S/C6H13NO2/c1-7-5-3-2-4-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKeyCMVZMERLBCRJAH-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
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

5-Aminovaleric acid
CID 138
5-Acetamidopentanoic acid
CID 439903
Methyl 5-(methylamino)pentanoate hydrochloride
CID 77231266
5-Methylaminopentanoic acid hydrochloride
CID 86019176
Delta-Amino Valeric Acid
CID 449593
5-(Dimethylamino)pentanoic Acid
CID 14017020
N-Methylornithine
CID 14131889
5-(methylamino)-5-oxoPentanoic acid
CID 18343488
4-(ethylcarbamoyl)butanoic Acid
CID 4326117
6-(Methylamino)hexanoic acid
CID 4989372
5-(4-Carboxybutylamino)pentanoic acid
CID 20086046
N-carboxybutyl glycine
CID 57053395

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)pentanoic acid?
The IUPAC name of 5-(methylamino)pentanoic acid (CID 11665412) is 5-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(methylamino)pentanoic acid?
The canonical SMILES for 5-(methylamino)pentanoic acid is CNCCCCC(=O)O.
What is the InChIKey of 5-(methylamino)pentanoic acid?
The InChIKey is CMVZMERLBCRJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-5-3-2-4-6(8)9/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of 5-(methylamino)pentanoic acid?
5-(methylamino)pentanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pentanoic acid is sourced from PubChem (CID 11665412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).