4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid

C13H20N2O2 — CID 55154057

IUPAC4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
SMILESCN(C)c1ccc(CC(N)CCC(=O)O)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)12-6-3-10(4-7-12)9-11(14)5-8-13(16)17/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,16,17)
InChIKeyWGJXOCTXUMLLBO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds6

About 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid

4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid (PubChem CID 55154057) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
PubChem CID55154057
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
SMILESCN(C)c1ccc(CC(N)CCC(=O)O)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)12-6-3-10(4-7-12)9-11(14)5-8-13(16)17/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,16,17)
InChIKeyWGJXOCTXUMLLBO-UHFFFAOYSA-N
XLogP1.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-5-(4-aminophenyl)pentanoic acid
CID 66644557
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
4-cyano-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 112518509
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline
CID 89225584
(4R)-4-amino-5-[4-(diaminomethylideneamino)phenyl]pentanoic acid
CID 66644748
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
5-amino-6-phenylhexan-2-one
CID 90094782
4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 62961520
(4R)-4-amino-5-(3-aminophenyl)pentanoic acid
CID 66644797

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid?
The IUPAC name of 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid (CID 55154057) is 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid.
What is the SMILES notation for 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid?
The canonical SMILES for 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid is CN(C)c1ccc(CC(N)CCC(=O)O)cc1.
What is the InChIKey of 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid?
The InChIKey is WGJXOCTXUMLLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)12-6-3-10(4-7-12)9-11(14)5-8-13(16)17/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid?
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid is sourced from PubChem (CID 55154057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).