(2R)-2-(benzylamino)hexanoic acid

C13H19NO2 — CID 129366307

IUPAC(2R)-2-(benzylamino)hexanoic acid
SMILESCCCC[C@@H](NCc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO2/c1-2-3-9-12(13(15)16)14-10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyHQDXZMGISBZJCQ-GFCCVEGCSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds7

About (2R)-2-(benzylamino)hexanoic acid

(2R)-2-(benzylamino)hexanoic acid (PubChem CID 129366307) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-(benzylamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzylamino)hexanoic acid
PubChem CID129366307
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-(benzylamino)hexanoic acid
SMILESCCCC[C@@H](NCc1ccccc1)C(=O)O
InChIInChI=1S/C13H19NO2/c1-2-3-9-12(13(15)16)14-10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyHQDXZMGISBZJCQ-GFCCVEGCSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)nonanoic acid
CID 54889620
2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
4-(benzylamino)-2-hydroxy-2-methyloctan-3-one
CID 14791550
2-[(2-phenylpyrimidin-5-yl)methylamino]hexanoic acid
CID 91671248
2-(benzylamino)-5-methylsulfanylpentanoic acid
CID 103089278
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]hexanoic acid
CID 122044665
2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
(2S)-2-[(3,4-dibromophenyl)methylamino]hexanoic acid
CID 120511710
2-(benzylcarbamothioylamino)hexanoic acid
CID 44828290
acetyl chloride;6-amino-2-(benzylamino)hexanoic acid
CID 174530282
2-[(4-bromo-3-methylphenyl)methylamino]hexanoic acid
CID 120510240
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)hexanoic acid?
The IUPAC name of (2R)-2-(benzylamino)hexanoic acid (CID 129366307) is (2R)-2-(benzylamino)hexanoic acid.
What is the SMILES notation for (2R)-2-(benzylamino)hexanoic acid?
The canonical SMILES for (2R)-2-(benzylamino)hexanoic acid is CCCC[C@@H](NCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(benzylamino)hexanoic acid?
The InChIKey is HQDXZMGISBZJCQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-9-12(13(15)16)14-10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)hexanoic acid?
(2R)-2-(benzylamino)hexanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)hexanoic acid is sourced from PubChem (CID 129366307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).