2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid

C12H15NO2 — CID 64663881

IUPAC2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESNC1(CC(=O)O)CCCc2ccccc21
InChIInChI=1S/C12H15NO2/c13-12(8-11(14)15)7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6H,3,5,7-8,13H2,(H,14,15)
InChIKeyBYZAMCPREYOJFF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.65
Rot. Bonds2

About 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid

2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (PubChem CID 64663881) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
PubChem CID64663881
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESNC1(CC(=O)O)CCCc2ccccc21
InChIInChI=1S/C12H15NO2/c13-12(8-11(14)15)7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6H,3,5,7-8,13H2,(H,14,15)
InChIKeyBYZAMCPREYOJFF-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
2-[5-(1-aminoethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]acetic acid
CID 66096864
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 60797953
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
1-(2-chloroethyl)-2,3-dihydroinden-1-amine
CID 172761296
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 112592209
5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407550
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The IUPAC name of 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (CID 64663881) is 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is NC1(CC(=O)O)CCCc2ccccc21.
What is the InChIKey of 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The InChIKey is BYZAMCPREYOJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-12(8-11(14)15)7-3-5-9-4-1-2-6-10(9)12/h1-2,4,6H,3,5,7-8,13H2,(H,14,15).
What are the key properties of 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is sourced from PubChem (CID 64663881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).