3-[bis(2-methylpropyl)amino]propanoic acid

C11H23NO2 — CID 2057165

IUPAC3-[bis(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)7-12(8-10(3)4)6-5-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyPZOIRSAWTCMFEB-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.08
Rot. Bonds7

About 3-[bis(2-methylpropyl)amino]propanoic acid

3-[bis(2-methylpropyl)amino]propanoic acid (PubChem CID 2057165) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]propanoic acid
PubChem CID2057165
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[bis(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)7-12(8-10(3)4)6-5-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyPZOIRSAWTCMFEB-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nitrilotripropionic acid
CID 98537
3-(Dimethylamino)propanoic acid
CID 239828
N,N-Diethyl-beta-alanine
CID 247454
N,N-diethyl-beta-alanine hydrochloride
CID 3084241
(3-Methoxy-2-methyl-3-oxopropyl)-trimethylazanium
CID 4092
3-(Dipropylamino)propanoic acid
CID 351690
Methylbetaine
CID 192884
Methyl 3-(diethylamino)-2-methylpropanoate
CID 3015533
Methyl 3-(diethylamino)-2-methylpropanoate--hydrogen bromide (1/1)
CID 3070305
3-(N-Methylpentylamino)propionic acid hydrochloride
CID 16726423
1-Methylazetidine-3-carboxylic acid
CID 20653078
1-(2-Methylpropyl)azetidine-3-carboxylic acid
CID 21935217

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[bis(2-methylpropyl)amino]propanoic acid (CID 2057165) is 3-[bis(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]propanoic acid?
The InChIKey is PZOIRSAWTCMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)7-12(8-10(3)4)6-5-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[bis(2-methylpropyl)amino]propanoic acid?
3-[bis(2-methylpropyl)amino]propanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 2057165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).