2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid

C14H21NO3 — CID 103268434

IUPAC2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid
SMILESCCCC(O)CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-2-3-13(16)10-15-9-12-6-4-11(5-7-12)8-14(17)18/h4-7,13,15-16H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyJMQQCGCDISDVIV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds8

About 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid

2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid (PubChem CID 103268434) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid
PubChem CID103268434
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid
SMILESCCCC(O)CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-2-3-13(16)10-15-9-12-6-4-11(5-7-12)8-14(17)18/h4-7,13,15-16H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyJMQQCGCDISDVIV-UHFFFAOYSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid
CID 115122682
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096
2-[4-[(4-hydroxypentylamino)methyl]phenyl]acetic acid
CID 114148480
2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
CID 103251531
5-[(4-bromophenyl)methylamino]-4-hydroxypentanoic acid
CID 115122675
N'-hydroxy-4-[(2-hydroxypentylamino)methyl]benzenecarboximidamide
CID 113495841
1-(benzylamino)octan-2-ol
CID 71341698
(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
1-(benzylamino)decan-2-ol
CID 42614665
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid (CID 103268434) is 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid is CCCC(O)CNCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid?
The InChIKey is JMQQCGCDISDVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-13(16)10-15-9-12-6-4-11(5-7-12)8-14(17)18/h4-7,13,15-16H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid?
2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 103268434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).