3-methyl-3-[methyl(propyl)amino]butanoic acid

C9H19NO2 — CID 117042303

IUPAC3-methyl-3-[methyl(propyl)amino]butanoic acid
SMILESCCCN(C)C(C)(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-5-6-10(4)9(2,3)7-8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyAAIWEGAMYDWIFS-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds5

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

3-methyl-3-[methyl(propyl)amino]butanoic acid (PubChem CID 117042303) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methyl-3-[methyl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[methyl(propyl)amino]butanoic acid
PubChem CID117042303
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-methyl-3-[methyl(propyl)amino]butanoic acid
SMILESCCCN(C)C(C)(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-5-6-10(4)9(2,3)7-8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyAAIWEGAMYDWIFS-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
CID 110834659
3-[2-(2-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042497
3,3-dimethyl-4-[methyl(pentyl)amino]butanoic acid
CID 115220447
3-[2-(3-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042488
5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933573
2-cyclopropyl-2-[methyl(propyl)amino]propanoic acid
CID 114988948
3-[carbamoyl-[2-(dimethylamino)ethyl]amino]-3-methylbutanoic acid
CID 96599662
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
3-tert-butyl-3-hydroxydecanoic acid
CID 154176683
(3S)-3-(aminomethyl)-3-methylheptanoic acid
CID 102044731
3-methyl-3-(propylamino)butanoic acid
CID 65235823
3,3-dimethyloctanoic acid
CID 20501381

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl(propyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[methyl(propyl)amino]butanoic acid (CID 117042303) is 3-methyl-3-[methyl(propyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[methyl(propyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[methyl(propyl)amino]butanoic acid is CCCN(C)C(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[methyl(propyl)amino]butanoic acid?
The InChIKey is AAIWEGAMYDWIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-10(4)9(2,3)7-8(11)12/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 3-methyl-3-[methyl(propyl)amino]butanoic acid?
3-methyl-3-[methyl(propyl)amino]butanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl(propyl)amino]butanoic acid is sourced from PubChem (CID 117042303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).