3-amino-4-naphthalen-1-ylbutanoic acid

C14H15NO2 — CID 53395054

IUPAC3-amino-4-naphthalen-1-ylbutanoic acid
SMILESNC(CC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,15H2,(H,16,17)
InChIKeyVEJIDCKYNSOIIN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.18
Rot. Bonds4

About 3-amino-4-naphthalen-1-ylbutanoic acid

3-amino-4-naphthalen-1-ylbutanoic acid (PubChem CID 53395054) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-4-naphthalen-1-ylbutanoic acid.

Molecular Properties

Compound Name3-amino-4-naphthalen-1-ylbutanoic acid
PubChem CID53395054
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-amino-4-naphthalen-1-ylbutanoic acid
SMILESNC(CC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,15H2,(H,16,17)
InChIKeyVEJIDCKYNSOIIN-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268
3-(iodoamino)-4-naphthalen-1-ylbutanoic acid
CID 166792226
4-[2-(aminomethyl)phenyl]butanoic acid;(3S)-3-amino-4-naphthalen-1-ylbutanoic acid;(3S)-3-amino-4-thiophen-2-ylbutanoic acid
CID 174918606
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
CID 166000608
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-naphthalen-1-ylbutanoic acid?
The IUPAC name of 3-amino-4-naphthalen-1-ylbutanoic acid (CID 53395054) is 3-amino-4-naphthalen-1-ylbutanoic acid.
What is the SMILES notation for 3-amino-4-naphthalen-1-ylbutanoic acid?
The canonical SMILES for 3-amino-4-naphthalen-1-ylbutanoic acid is NC(CC(=O)O)Cc1cccc2ccccc12.
What is the InChIKey of 3-amino-4-naphthalen-1-ylbutanoic acid?
The InChIKey is VEJIDCKYNSOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-12(9-14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12H,8-9,15H2,(H,16,17).
What are the key properties of 3-amino-4-naphthalen-1-ylbutanoic acid?
3-amino-4-naphthalen-1-ylbutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-naphthalen-1-ylbutanoic acid is sourced from PubChem (CID 53395054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).