3-(5-hydroxypentylamino)benzoic acid

C12H17NO3 — CID 107319684

IUPAC3-(5-hydroxypentylamino)benzoic acid
SMILESO=C(O)c1cccc(NCCCCCO)c1
InChIInChI=1S/C12H17NO3/c14-8-3-1-2-7-13-11-6-4-5-10(9-11)12(15)16/h4-6,9,13-14H,1-3,7-8H2,(H,15,16)
InChIKeyNVDAVEOXNCWZLH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.96
Rot. Bonds7

About 3-(5-hydroxypentylamino)benzoic acid

3-(5-hydroxypentylamino)benzoic acid (PubChem CID 107319684) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(5-hydroxypentylamino)benzoic acid.

Molecular Properties

Compound Name3-(5-hydroxypentylamino)benzoic acid
PubChem CID107319684
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(5-hydroxypentylamino)benzoic acid
SMILESO=C(O)c1cccc(NCCCCCO)c1
InChIInChI=1S/C12H17NO3/c14-8-3-1-2-7-13-11-6-4-5-10(9-11)12(15)16/h4-6,9,13-14H,1-3,7-8H2,(H,15,16)
InChIKeyNVDAVEOXNCWZLH-UHFFFAOYSA-N
XLogP1.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.96
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

5-(3-bromoanilino)pentan-1-ol
CID 62227140
3-(3-phenoxypropylamino)benzoic acid
CID 82096044
10-anilinodecan-1-ol
CID 10955954
3-[6-(6-hydroxyhexylamino)-1,3-benzoxazol-2-yl]benzoic acid
CID 11508652
3-[4-[methyl(propan-2-yl)amino]butylamino]benzoic acid
CID 102822571
3-(2-phenylethylamino)benzoic acid
CID 43139401
5-(3-iodoanilino)pentan-1-ol
CID 62228446
3-[3-(2-chloroethylsulfonyl)propylamino]benzoic acid
CID 54086500
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
6-(3-phenoxyanilino)hexan-1-ol
CID 103867980
3-(2-methylsulfinylethylamino)benzoic acid
CID 102823367

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentylamino)benzoic acid?
The IUPAC name of 3-(5-hydroxypentylamino)benzoic acid (CID 107319684) is 3-(5-hydroxypentylamino)benzoic acid.
What is the SMILES notation for 3-(5-hydroxypentylamino)benzoic acid?
The canonical SMILES for 3-(5-hydroxypentylamino)benzoic acid is O=C(O)c1cccc(NCCCCCO)c1.
What is the InChIKey of 3-(5-hydroxypentylamino)benzoic acid?
The InChIKey is NVDAVEOXNCWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-8-3-1-2-7-13-11-6-4-5-10(9-11)12(15)16/h4-6,9,13-14H,1-3,7-8H2,(H,15,16).
What are the key properties of 3-(5-hydroxypentylamino)benzoic acid?
3-(5-hydroxypentylamino)benzoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentylamino)benzoic acid is sourced from PubChem (CID 107319684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).