methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride

C7H10ClNO3 — CID 165479149

IUPACmethyl 2-amino-2-(furan-3-yl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccoc1.Cl
InChIInChI=1S/C7H9NO3.ClH/c1-10-7(9)6(8)5-2-3-11-4-5;/h2-4,6H,8H2,1H3;1H
InChIKeyLQLJVMCEKQDYKN-UHFFFAOYSA-N
MW191.61 g/mol
LogP0.87
Rot. Bonds2

About methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride

methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride (PubChem CID 165479149) has the molecular formula C7H10ClNO3 and a molecular weight of 191.61 g/mol. Its IUPAC name is methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(furan-3-yl)acetate;hydrochloride
PubChem CID165479149
Molecular FormulaC7H10ClNO3
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Namemethyl 2-amino-2-(furan-3-yl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccoc1.Cl
InChIInChI=1S/C7H9NO3.ClH/c1-10-7(9)6(8)5-2-3-11-4-5;/h2-4,6H,8H2,1H3;1H
InChIKeyLQLJVMCEKQDYKN-UHFFFAOYSA-N
XLogP0.87
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Furan-3-yl)ethanamine
CID 11804704
1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 71756511
(R)-1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 137832506
(1S)-1-(furan-3-yl)ethan-1-amine hydrochloride
CID 137832513
Methyl 2-amino-3-(furan-3-yl)propanoate hydrochloride
CID 145909098
3-Amino-3-(furan-3-yl)propanoic acid
CID 53417414
Methyl 2-amino-2-(furan-3-yl)acetate
CID 18546098
Ethyl 3-amino-3-(furan-3-yl)propanoate;2,2,2-trifluoroacetic acid
CID 23203202
(2S)-2-amino-2-(furan-3-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 69198705
ethyl (3S)-3-amino-3-(furan-3-yl)propanoate;2,2,2-trifluoroacetic acid
CID 70084895
Ethyl 2-amino-2-(furan-3-yl)acetate
CID 166000788
2-Amino-3,3,3-trifluoro-2-(furan-3-yl)propanoic acid
CID 64136702

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride (CID 165479149) is methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride is COC(=O)C(N)c1ccoc1.Cl.
What is the InChIKey of methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride?
The InChIKey is LQLJVMCEKQDYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.ClH/c1-10-7(9)6(8)5-2-3-11-4-5;/h2-4,6H,8H2,1H3;1H.
What are the key properties of methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride?
methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride has a molecular weight of 191.61 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(furan-3-yl)acetate;hydrochloride is sourced from PubChem (CID 165479149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).