3-[methyl(2-methylpropyl)amino]butanoic acid

C9H19NO2 — CID 43537457

IUPAC3-[methyl(2-methylpropyl)amino]butanoic acid
SMILESCC(C)CN(C)C(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)6-10(4)8(3)5-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyKSSKJUNRIAGWSM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds5

About 3-[methyl(2-methylpropyl)amino]butanoic acid

3-[methyl(2-methylpropyl)amino]butanoic acid (PubChem CID 43537457) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[methyl(2-methylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl(2-methylpropyl)amino]butanoic acid
PubChem CID43537457
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[methyl(2-methylpropyl)amino]butanoic acid
SMILESCC(C)CN(C)C(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)6-10(4)8(3)5-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyKSSKJUNRIAGWSM-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
3-[methyl(pentyl)amino]butanoic acid
CID 43537465
3-[methyl(2-methylpropyl)amino]butanethioamide
CID 60913501
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
3-[cyclobutyl(2-methylpropyl)amino]butanoic acid
CID 112709290
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
3-methylbutanoic acid
CID 20849036
3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64895078
3-[2-cyclobutylethyl(methyl)amino]butanoic acid
CID 117042297
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropyl)amino]butanoic acid?
The IUPAC name of 3-[methyl(2-methylpropyl)amino]butanoic acid (CID 43537457) is 3-[methyl(2-methylpropyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl(2-methylpropyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl(2-methylpropyl)amino]butanoic acid is CC(C)CN(C)C(C)CC(=O)O.
What is the InChIKey of 3-[methyl(2-methylpropyl)amino]butanoic acid?
The InChIKey is KSSKJUNRIAGWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)6-10(4)8(3)5-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-[methyl(2-methylpropyl)amino]butanoic acid?
3-[methyl(2-methylpropyl)amino]butanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropyl)amino]butanoic acid is sourced from PubChem (CID 43537457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).