2-(4-hydroxypentylamino)-2-phenylacetic acid

C13H19NO3 — CID 106136977

IUPAC2-(4-hydroxypentylamino)-2-phenylacetic acid
SMILESCC(O)CCCNC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(15)6-5-9-14-12(13(16)17)11-7-3-2-4-8-11/h2-4,7-8,10,12,14-15H,5-6,9H2,1H3,(H,16,17)
InChIKeyCWHFJLXQMCGEPL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds7

About 2-(4-hydroxypentylamino)-2-phenylacetic acid

2-(4-hydroxypentylamino)-2-phenylacetic acid (PubChem CID 106136977) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-hydroxypentylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-hydroxypentylamino)-2-phenylacetic acid
PubChem CID106136977
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-hydroxypentylamino)-2-phenylacetic acid
SMILESCC(O)CCCNC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(15)6-5-9-14-12(13(16)17)11-7-3-2-4-8-11/h2-4,7-8,10,12,14-15H,5-6,9H2,1H3,(H,16,17)
InChIKeyCWHFJLXQMCGEPL-UHFFFAOYSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.56
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

2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
2-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylacetic acid
CID 106248272
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
2-(butylamino)-2-phenylacetamide
CID 14569005
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypentylamino)-2-phenylacetic acid?
The IUPAC name of 2-(4-hydroxypentylamino)-2-phenylacetic acid (CID 106136977) is 2-(4-hydroxypentylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-hydroxypentylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(4-hydroxypentylamino)-2-phenylacetic acid is CC(O)CCCNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(4-hydroxypentylamino)-2-phenylacetic acid?
The InChIKey is CWHFJLXQMCGEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)6-5-9-14-12(13(16)17)11-7-3-2-4-8-11/h2-4,7-8,10,12,14-15H,5-6,9H2,1H3,(H,16,17).
What are the key properties of 2-(4-hydroxypentylamino)-2-phenylacetic acid?
2-(4-hydroxypentylamino)-2-phenylacetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentylamino)-2-phenylacetic acid is sourced from PubChem (CID 106136977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).