3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid

C10H12ClNO4 — CID 106683586

IUPAC3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4/c1-10(2,9(14)15)5-12-8(13)6-3-4-16-7(6)11/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyODAIICDXXGPUHH-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.77
Rot. Bonds4

About 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 106683586) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID106683586
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4/c1-10(2,9(14)15)5-12-8(13)6-3-4-16-7(6)11/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyODAIICDXXGPUHH-UHFFFAOYSA-N
XLogP1.77
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
CID 106687009
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
CID 106683547
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
3-[(2-chloro-5-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427112
2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
CID 106687245

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 106683586) is 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1ccoc1Cl)C(=O)O.
What is the InChIKey of 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is ODAIICDXXGPUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-10(2,9(14)15)5-12-8(13)6-3-4-16-7(6)11/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 245.66 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 106683586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).