methyl 2-amino-2-(5-chlorofuran-2-yl)acetate

C7H8ClNO3 — CID 130062270

IUPACmethyl 2-amino-2-(5-chlorofuran-2-yl)acetate
SMILESCOC(=O)C(N)c1ccc(Cl)o1
InChIInChI=1S/C7H8ClNO3/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3
InChIKeyDLQNCZIDSJNTNA-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.11
Rot. Bonds2

About methyl 2-amino-2-(5-chlorofuran-2-yl)acetate

methyl 2-amino-2-(5-chlorofuran-2-yl)acetate (PubChem CID 130062270) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is methyl 2-amino-2-(5-chlorofuran-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-chlorofuran-2-yl)acetate
PubChem CID130062270
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Namemethyl 2-amino-2-(5-chlorofuran-2-yl)acetate
SMILESCOC(=O)C(N)c1ccc(Cl)o1
InChIInChI=1S/C7H8ClNO3/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3
InChIKeyDLQNCZIDSJNTNA-UHFFFAOYSA-N
XLogP1.11
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-2-(5-chlorofuran-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
CID 171213571
methyl 2-(5-chlorofuran-2-yl)-3-(dimethylamino)propanoate
CID 117240819
methyl 2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoate
CID 117240782
2-chloro-5-(dimethoxymethyl)furan
CID 119084288
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl (2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)acetate
CID 131624648
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-chlorofuran-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(5-chlorofuran-2-yl)acetate (CID 130062270) is methyl 2-amino-2-(5-chlorofuran-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-chlorofuran-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-chlorofuran-2-yl)acetate is COC(=O)C(N)c1ccc(Cl)o1.
What is the InChIKey of methyl 2-amino-2-(5-chlorofuran-2-yl)acetate?
The InChIKey is DLQNCZIDSJNTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3/c1-11-7(10)6(9)4-2-3-5(8)12-4/h2-3,6H,9H2,1H3.
What are the key properties of methyl 2-amino-2-(5-chlorofuran-2-yl)acetate?
methyl 2-amino-2-(5-chlorofuran-2-yl)acetate has a molecular weight of 189.60 g/mol, XLogP of 1.11, 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-(5-chlorofuran-2-yl)acetate is sourced from PubChem (CID 130062270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).