3-(pentan-2-ylamino)naphthalene-2-carboxylic acid

C16H19NO2 — CID 107886429

IUPAC3-(pentan-2-ylamino)naphthalene-2-carboxylic acid
SMILESCCCC(C)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H19NO2/c1-3-6-11(2)17-15-10-13-8-5-4-7-12(13)9-14(15)16(18)19/h4-5,7-11,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyZPSOXRULMOZKST-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.14
Rot. Bonds5

About 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid

3-(pentan-2-ylamino)naphthalene-2-carboxylic acid (PubChem CID 107886429) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pentan-2-ylamino)naphthalene-2-carboxylic acid
PubChem CID107886429
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(pentan-2-ylamino)naphthalene-2-carboxylic acid
SMILESCCCC(C)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C16H19NO2/c1-3-6-11(2)17-15-10-13-8-5-4-7-12(13)9-14(15)16(18)19/h4-5,7-11,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyZPSOXRULMOZKST-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(pentan-2-ylamino)benzoic acid
CID 115544247
2-(pentan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 63510340
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
2-(butan-2-ylamino)benzoic acid
CID 19609454
3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
3-methyl-4-(pentan-2-ylamino)benzoic acid
CID 43736098
3-[(2-propan-2-ylsulfanylacetyl)amino]naphthalene-2-carboxylic acid
CID 43170984
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
CID 61195692
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397

Frequently Asked Questions

What is the IUPAC name of 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid (CID 107886429) is 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid is CCCC(C)Nc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid?
The InChIKey is ZPSOXRULMOZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-6-11(2)17-15-10-13-8-5-4-7-12(13)9-14(15)16(18)19/h4-5,7-11,17H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid?
3-(pentan-2-ylamino)naphthalene-2-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentan-2-ylamino)naphthalene-2-carboxylic acid is sourced from PubChem (CID 107886429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).