3-[2-(5-aminopentanoylamino)phenyl]propanoic acid

C14H20N2O3 — CID 107273556

IUPAC3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
SMILESNCCCCC(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C14H20N2O3/c15-10-4-3-7-13(17)16-12-6-2-1-5-11(12)8-9-14(18)19/h1-2,5-6H,3-4,7-10,15H2,(H,16,17)(H,18,19)
InChIKeyMDOSKJDQLSVROP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.77
Rot. Bonds8

About 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid

3-[2-(5-aminopentanoylamino)phenyl]propanoic acid (PubChem CID 107273556) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
PubChem CID107273556
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
SMILESNCCCCC(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C14H20N2O3/c15-10-4-3-7-13(17)16-12-6-2-1-5-11(12)8-9-14(18)19/h1-2,5-6H,3-4,7-10,15H2,(H,16,17)(H,18,19)
InChIKeyMDOSKJDQLSVROP-UHFFFAOYSA-N
XLogP1.77
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
[2-(4-aminobutyl)phenyl]urea
CID 117296509
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
3-[2-[(3-amino-4,4-dimethylpentanoyl)amino]phenyl]propanoic acid
CID 107273611
3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
CID 107272399
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
CID 119753331

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid (CID 107273556) is 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid is NCCCCC(=O)Nc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid?
The InChIKey is MDOSKJDQLSVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-10-4-3-7-13(17)16-12-6-2-1-5-11(12)8-9-14(18)19/h1-2,5-6H,3-4,7-10,15H2,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid?
3-[2-(5-aminopentanoylamino)phenyl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-aminopentanoylamino)phenyl]propanoic acid is sourced from PubChem (CID 107273556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).