3-[methyl(propyl)amino]propanoic acid

C7H15NO2 — CID 22259891

IUPAC3-[methyl(propyl)amino]propanoic acid
SMILESCCCN(C)CCC(=O)O
InChIInChI=1S/C7H15NO2/c1-3-5-8(2)6-4-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyQHJWKOZWMBUASB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.80
Rot. Bonds5

About 3-[methyl(propyl)amino]propanoic acid

3-[methyl(propyl)amino]propanoic acid (PubChem CID 22259891) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(propyl)amino]propanoic acid
PubChem CID22259891
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-[methyl(propyl)amino]propanoic acid
SMILESCCCN(C)CCC(=O)O
InChIInChI=1S/C7H15NO2/c1-3-5-8(2)6-4-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyQHJWKOZWMBUASB-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

beta-Alanine betaine
CID 441440
Nitrilotripropionic acid
CID 98537
3-(Dimethylamino)propanoic acid
CID 239828
3-(1-Pyrrolidinyl)propanoic acid
CID 558407
3-[Bis(2-methylpropyl)amino]propanoic acid
CID 2057165
N,N-Diethyl-beta-alanine
CID 247454
3-(Trimethylazaniumyl)propanoate--hydrogen chloride (1/1)
CID 201603
Aziridine-1-propionic acid
CID 117620
3-(Dimethylamino)propanoic acid hydrochloride
CID 11586327
3-[(2-Hydroxyethyl)(methyl)amino]propanoic acid
CID 17834763
3-(Dimethylamino)butanoic acid
CID 21935982
3-(N-methylacetamido)propanoic acid
CID 541580

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(propyl)amino]propanoic acid (CID 22259891) is 3-[methyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(propyl)amino]propanoic acid is CCCN(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(propyl)amino]propanoic acid?
The InChIKey is QHJWKOZWMBUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-5-8(2)6-4-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 3-[methyl(propyl)amino]propanoic acid?
3-[methyl(propyl)amino]propanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]propanoic acid is sourced from PubChem (CID 22259891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).