2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid

C8H8ClNO4 — CID 28790003

IUPAC2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H8ClNO4/c1-10(4-7(11)12)8(13)5-2-3-6(9)14-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyKAYQQLLJYZGMRV-UHFFFAOYSA-N
MW217.61 g/mol
LogP1.09
Rot. Bonds3

About 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid

2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid (PubChem CID 28790003) has the molecular formula C8H8ClNO4 and a molecular weight of 217.61 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
PubChem CID28790003
Molecular FormulaC8H8ClNO4
Molecular Weight217.61 g/mol
Exact Mass217.01
IUPAC Name2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H8ClNO4/c1-10(4-7(11)12)8(13)5-2-3-6(9)14-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyKAYQQLLJYZGMRV-UHFFFAOYSA-N
XLogP1.09
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
3-[(5-chlorofuran-2-carbonyl)-methylamino]butanoic acid
CID 110836895
5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide
CID 103747395
2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990162
5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
CID 51075676
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880
2-[(5-chlorofuran-2-carbonyl)-(1-methylsulfonylpiperidin-4-yl)amino]acetic acid
CID 128968650
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid (CID 28790003) is 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid?
The InChIKey is KAYQQLLJYZGMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4/c1-10(4-7(11)12)8(13)5-2-3-6(9)14-5/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid?
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid has a molecular weight of 217.61 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 28790003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).