5-[benzyl(methyl)amino]pentanoic acid

C13H19NO2 — CID 28972352

IUPAC5-[benzyl(methyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-14(10-6-5-9-13(15)16)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,15,16)
InChIKeyWOAJPQPYRLQMBS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds7

About 5-[benzyl(methyl)amino]pentanoic acid

5-[benzyl(methyl)amino]pentanoic acid (PubChem CID 28972352) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]pentanoic acid
PubChem CID28972352
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-[benzyl(methyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-14(10-6-5-9-13(15)16)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,15,16)
InChIKeyWOAJPQPYRLQMBS-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pentanoic acid
CID 118457380
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one
CID 6405380
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
CID 82042587
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
(2S)-2-[[(1S)-5-[benzyl(methyl)amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 171843664
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]pentanoic acid?
The IUPAC name of 5-[benzyl(methyl)amino]pentanoic acid (CID 28972352) is 5-[benzyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 5-[benzyl(methyl)amino]pentanoic acid?
The canonical SMILES for 5-[benzyl(methyl)amino]pentanoic acid is CN(CCCCC(=O)O)Cc1ccccc1.
What is the InChIKey of 5-[benzyl(methyl)amino]pentanoic acid?
The InChIKey is WOAJPQPYRLQMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(10-6-5-9-13(15)16)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,15,16).
What are the key properties of 5-[benzyl(methyl)amino]pentanoic acid?
5-[benzyl(methyl)amino]pentanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 28972352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).