methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride

C14H20ClNO2 — CID 75480887

IUPACmethyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)CC1CCCc2ccccc21.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)13(15)9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-3,5,8,11,13H,4,6-7,9,15H2,1H3;1H
InChIKeyPGHMXDPHHZCARU-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.42
Rot. Bonds3

About methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride

methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride (PubChem CID 75480887) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride
PubChem CID75480887
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride
SMILESCOC(=O)C(N)CC1CCCc2ccccc21.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-17-14(16)13(15)9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-3,5,8,11,13H,4,6-7,9,15H2,1H3;1H
InChIKeyPGHMXDPHHZCARU-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride (CID 75480887) is methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride is COC(=O)C(N)CC1CCCc2ccccc21.Cl.
What is the InChIKey of methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride?
The InChIKey is PGHMXDPHHZCARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(15)9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-3,5,8,11,13H,4,6-7,9,15H2,1H3;1H.
What are the key properties of methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride?
methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 75480887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).