methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C12H15NO2 — CID 77428227

IUPACmethyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CC(N)Cc2ccccc21
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-5,9,11H,6-7,13H2,1H3
InChIKeySIWONVBCXPSAMW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.22
Rot. Bonds1

About methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate

methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 77428227) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID77428227
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CC(N)Cc2ccccc21
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-5,9,11H,6-7,13H2,1H3
InChIKeySIWONVBCXPSAMW-UHFFFAOYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride
CID 48188
Methyl 4-amino-3-phenylbutanoate
CID 55296
Methyl 3-amino-2-phenylpropanoate hydrochloride
CID 42614489
2-Amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 22326320
(S)-methyl 2-amino-3-(naphthalen-2-yl)propanoate
CID 9291934
Methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate hydrochloride
CID 75480887
Methyl3-amino-1-phenylcyclobutane-1-carboxylate
CID 115023992
Methyl 4-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate hydrochloride
CID 136574843
methyl (2R)-2-amino-2-naphthalen-1-ylacetate
CID 7315730
methyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
CID 15605747
2-(1-Naphthyl)-2-(methoxycarbonyl)ethylamine hydrochloride
CID 19963460
Methyl 4-amino-3-phenylbutanoate hydrochloride
CID 68748102

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 77428227) is methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate is COC(=O)C1CC(N)Cc2ccccc21.
What is the InChIKey of methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is SIWONVBCXPSAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-5,9,11H,6-7,13H2,1H3.
What are the key properties of methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 77428227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).