2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid

C11H14ClNO4 — CID 106683547

IUPAC2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C11H14ClNO4/c1-3-11(4-2,10(15)16)13-9(14)7-5-6-17-8(7)12/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHXWXFZHAKCLQER-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.31
Rot. Bonds5

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

2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid (PubChem CID 106683547) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
PubChem CID106683547
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C11H14ClNO4/c1-3-11(4-2,10(15)16)13-9(14)7-5-6-17-8(7)12/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHXWXFZHAKCLQER-UHFFFAOYSA-N
XLogP2.31
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
CID 106687245
2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
CID 114037008
N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
2-[(2-chloro-4,5-difluorobenzoyl)amino]-2-ethylbutanoic acid
CID 79807166
3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 106683586
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
CID 106689285
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 79806199

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid (CID 106683547) is 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1ccoc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid?
The InChIKey is HXWXFZHAKCLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-3-11(4-2,10(15)16)13-9(14)7-5-6-17-8(7)12/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid?
2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid has a molecular weight of 259.69 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 106683547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).