4-[2-methylbutyl(propan-2-yl)amino]butanoic acid

C12H25NO2 — CID 62105886

IUPAC4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
SMILESCCC(C)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H25NO2/c1-5-11(4)9-13(10(2)3)8-6-7-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyGSPVKFPEIAXXBN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds8

About 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid

4-[2-methylbutyl(propan-2-yl)amino]butanoic acid (PubChem CID 62105886) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
PubChem CID62105886
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
SMILESCCC(C)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H25NO2/c1-5-11(4)9-13(10(2)3)8-6-7-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyGSPVKFPEIAXXBN-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
CID 62265559
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
CID 114282079
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108
4-[pent-3-ynyl(propan-2-yl)amino]butanoic acid
CID 104808716
4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
CID 65058347
3-[[methyl(2-methylbutyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61199676
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[[3-(methylamino)-3-oxopropyl]-propan-2-ylamino]butanoic acid
CID 62324292
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid (CID 62105886) is 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid is CCC(C)CN(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid?
The InChIKey is GSPVKFPEIAXXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-11(4)9-13(10(2)3)8-6-7-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid?
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylbutyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 62105886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).