4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid

C16H25NO2 — CID 119135308

IUPAC4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid
SMILESCC(C)(C)CN(CCCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)13-17(11-7-10-15(18)19)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,18,19)
InChIKeyPCOWKOKLGVNKQQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.40
Rot. Bonds7

About 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid

4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid (PubChem CID 119135308) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid
PubChem CID119135308
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid
SMILESCC(C)(C)CN(CCCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)13-17(11-7-10-15(18)19)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,18,19)
InChIKeyPCOWKOKLGVNKQQ-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307
4-[benzyl(2,2-difluoroethyl)amino]butanoic acid
CID 119145583
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536
azane;3-(dibenzylamino)propanoic acid
CID 162310692
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[[benzyl(2,2-dimethylpropyl)carbamoyl]amino]propanoic acid
CID 122019025
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
4-[[3-carboxypropyl(propyl)amino]methyl]benzoic acid
CID 59265022
(E)-18-(dibenzylamino)octadec-12-enoic acid
CID 18512777
6-[benzyl(6-oxohexyl)amino]hexanoic acid;methanol
CID 168891926
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid?
The IUPAC name of 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid (CID 119135308) is 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid.
What is the SMILES notation for 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid?
The canonical SMILES for 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid is CC(C)(C)CN(CCCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid?
The InChIKey is PCOWKOKLGVNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)13-17(11-7-10-15(18)19)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,18,19).
What are the key properties of 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid?
4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid is sourced from PubChem (CID 119135308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).