1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C12H15NO2 — CID 83908725

IUPAC1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1ccc2c(c1)C(N)(C(=O)O)CCC2
InChIInChI=1S/C12H15NO2/c1-8-4-5-9-3-2-6-12(13,11(14)15)10(9)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyPKJWMHGQPCDKSK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds1

About 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 83908725) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID83908725
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCc1ccc2c(c1)C(N)(C(=O)O)CCC2
InChIInChI=1S/C12H15NO2/c1-8-4-5-9-3-2-6-12(13,11(14)15)10(9)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyPKJWMHGQPCDKSK-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 21491277
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid;hydrochloride
CID 70632149
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 174154255
1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908874
1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721907
(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid
CID 102372506
(1-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 83907370
methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
CID 11086513
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
1-amino-5-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911210

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 83908725) is 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is Cc1ccc2c(c1)C(N)(C(=O)O)CCC2.
What is the InChIKey of 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is PKJWMHGQPCDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-5-9-3-2-6-12(13,11(14)15)10(9)7-8/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 83908725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).