3-[methyl(pentan-3-yl)amino]propanoic acid

C9H19NO2 — CID 43571317

IUPAC3-[methyl(pentan-3-yl)amino]propanoic acid
SMILESCCC(CC)N(C)CCC(=O)O
InChIInChI=1S/C9H19NO2/c1-4-8(5-2)10(3)7-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyBIGLKJPRVVZARF-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds6

About 3-[methyl(pentan-3-yl)amino]propanoic acid

3-[methyl(pentan-3-yl)amino]propanoic acid (PubChem CID 43571317) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[methyl(pentan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(pentan-3-yl)amino]propanoic acid
PubChem CID43571317
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[methyl(pentan-3-yl)amino]propanoic acid
SMILESCCC(CC)N(C)CCC(=O)O
InChIInChI=1S/C9H19NO2/c1-4-8(5-2)10(3)7-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyBIGLKJPRVVZARF-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726
4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
CID 65067772
3-[methyl-[1-(4-methylsulfanylphenyl)butan-2-yl]amino]propanoic acid
CID 84751593
3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid
CID 84751600
3-[2-hydroxyethyl(methyl)amino]pentanoic acid
CID 112708683
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
CID 63030187
3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
CID 82328088
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
3-[2-hydroxybutyl(methyl)amino]propanoic acid
CID 60986786
4-[methyl(pentan-3-yl)amino]pentanoic acid
CID 62213096
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[1-(2,5-dimethoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 84751599

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-3-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl(pentan-3-yl)amino]propanoic acid (CID 43571317) is 3-[methyl(pentan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(pentan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(pentan-3-yl)amino]propanoic acid is CCC(CC)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(pentan-3-yl)amino]propanoic acid?
The InChIKey is BIGLKJPRVVZARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-8(5-2)10(3)7-6-9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 3-[methyl(pentan-3-yl)amino]propanoic acid?
3-[methyl(pentan-3-yl)amino]propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentan-3-yl)amino]propanoic acid is sourced from PubChem (CID 43571317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).