6-(benzylamino)-2-hydroxyhexanoic acid

C13H19NO3 — CID 42613185

IUPAC6-(benzylamino)-2-hydroxyhexanoic acid
SMILESO=C(O)C(O)CCCCNCc1ccccc1
InChIInChI=1S/C13H19NO3/c15-12(13(16)17)8-4-5-9-14-10-11-6-2-1-3-7-11/h1-3,6-7,12,14-15H,4-5,8-10H2,(H,16,17)
InChIKeyVIZHKUWKXWXUJC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds8

About 6-(benzylamino)-2-hydroxyhexanoic acid

6-(benzylamino)-2-hydroxyhexanoic acid (PubChem CID 42613185) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-(benzylamino)-2-hydroxyhexanoic acid.

Molecular Properties

Compound Name6-(benzylamino)-2-hydroxyhexanoic acid
PubChem CID42613185
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name6-(benzylamino)-2-hydroxyhexanoic acid
SMILESO=C(O)C(O)CCCCNCc1ccccc1
InChIInChI=1S/C13H19NO3/c15-12(13(16)17)8-4-5-9-14-10-11-6-2-1-3-7-11/h1-3,6-7,12,14-15H,4-5,8-10H2,(H,16,17)
InChIKeyVIZHKUWKXWXUJC-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.39
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

N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
CID 175540511
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
1-[5-(benzylamino)pentylamino]ethanol
CID 23217639
4-(benzylamino)butane-1-sulfonic acid
CID 11368524
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
4-[(4-phenylbutylamino)methyl]benzoic acid
CID 90095310
2-amino-4-(benzylamino)butanoic acid;2-methylpropane
CID 143664363
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
4-(benzylamino)butane-1-selenol
CID 175343698
(2S)-5-(benzylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18346614

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-2-hydroxyhexanoic acid?
The IUPAC name of 6-(benzylamino)-2-hydroxyhexanoic acid (CID 42613185) is 6-(benzylamino)-2-hydroxyhexanoic acid.
What is the SMILES notation for 6-(benzylamino)-2-hydroxyhexanoic acid?
The canonical SMILES for 6-(benzylamino)-2-hydroxyhexanoic acid is O=C(O)C(O)CCCCNCc1ccccc1.
What is the InChIKey of 6-(benzylamino)-2-hydroxyhexanoic acid?
The InChIKey is VIZHKUWKXWXUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12(13(16)17)8-4-5-9-14-10-11-6-2-1-3-7-11/h1-3,6-7,12,14-15H,4-5,8-10H2,(H,16,17).
What are the key properties of 6-(benzylamino)-2-hydroxyhexanoic acid?
6-(benzylamino)-2-hydroxyhexanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-2-hydroxyhexanoic acid is sourced from PubChem (CID 42613185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).