4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid

C15H18N2O2 — CID 154809748

IUPAC4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid
SMILESCN(CCCC(=O)O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O2/c1-17(10-4-7-15(18)19)16-14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,18,19)
InChIKeyVXNLJVVWKPUORV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.96
Rot. Bonds6

About 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid

4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid (PubChem CID 154809748) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid
PubChem CID154809748
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid
SMILESCN(CCCC(=O)O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O2/c1-17(10-4-7-15(18)19)16-14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,18,19)
InChIKeyVXNLJVVWKPUORV-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 28972022
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
4-naphthalen-2-ylselanylbutanoic acid
CID 102279470
4-[4-anilinobutyl(methyl)amino]butanoic acid
CID 141217788
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131
4-[methyl(quinolin-2-yl)amino]butanoic acid
CID 43329714
N-methyl-2-(naphthalen-2-ylamino)-N-phenylacetamide
CID 26417147
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid?
The IUPAC name of 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid (CID 154809748) is 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid is CN(CCCC(=O)O)Nc1ccc2ccccc2c1.
What is the InChIKey of 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid?
The InChIKey is VXNLJVVWKPUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(10-4-7-15(18)19)16-14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,18,19).
What are the key properties of 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid?
4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid is sourced from PubChem (CID 154809748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).