6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid

C18H22N2O3 — CID 154945512

IUPAC6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
SMILESNCCCCC(NC(=O)Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C18H22N2O3/c19-11-4-3-10-16(18(22)23)20-17(21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12,19H2,(H,20,21)(H,22,23)
InChIKeyLOZYGAGAWBAASJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.08
Rot. Bonds8

About 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid

6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid (PubChem CID 154945512) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
PubChem CID154945512
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
SMILESNCCCCC(NC(=O)Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C18H22N2O3/c19-11-4-3-10-16(18(22)23)20-17(21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12,19H2,(H,20,21)(H,22,23)
InChIKeyLOZYGAGAWBAASJ-UHFFFAOYSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.08
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

(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 107823520
(2S)-6-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 57285552
(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
CID 7015183
(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid
CID 69228655
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
(2S)-6-amino-2-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 57016969
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
6-amino-2-[(2-hydroxyphenyl)methylamino]hexanoic acid
CID 85204947
(2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
CID 7010495
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
CID 141020858
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid (CID 154945512) is 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid is NCCCCC(NC(=O)Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid?
The InChIKey is LOZYGAGAWBAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c19-11-4-3-10-16(18(22)23)20-17(21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12,19H2,(H,20,21)(H,22,23).
What are the key properties of 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid?
6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid has a molecular weight of 314.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 154945512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).