3-[3-methylbutyl(propan-2-yl)amino]propanoic acid

C11H23NO2 — CID 60840337

IUPAC3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)C(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)5-7-12(10(3)4)8-6-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBNMHBXJFIGKVQF-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds7

About 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid

3-[3-methylbutyl(propan-2-yl)amino]propanoic acid (PubChem CID 60840337) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
PubChem CID60840337
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)CCN(CCC(=O)O)C(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)5-7-12(10(3)4)8-6-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBNMHBXJFIGKVQF-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyanomethyl(propan-2-yl)amino]propanoic acid
CID 60838486
3-[3-methylsulfanylpropyl(propan-2-yl)amino]propanoic acid
CID 65058433
3-[3-ethylsulfonylpropyl(propan-2-yl)amino]propanoic acid
CID 65097829
3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329289
3-[4-methoxybutyl(propan-2-yl)amino]propanoic acid
CID 104648419
4-[[3-(methylamino)-3-oxopropyl]-propan-2-ylamino]butanoic acid
CID 62324292
3-[3-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834885

Frequently Asked Questions

What is the IUPAC name of 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid (CID 60840337) is 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid is CC(C)CCN(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid?
The InChIKey is BNMHBXJFIGKVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)5-7-12(10(3)4)8-6-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid?
3-[3-methylbutyl(propan-2-yl)amino]propanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methylbutyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 60840337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).