2-(furan-3-carbonylamino)-2-methylpropanoic acid

C9H11NO4 — CID 61262985

IUPAC2-(furan-3-carbonylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C9H11NO4/c1-9(2,8(12)13)10-7(11)6-3-4-14-5-6/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyNLNYAGWLPYZKRF-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.87
Rot. Bonds3

About 2-(furan-3-carbonylamino)-2-methylpropanoic acid

2-(furan-3-carbonylamino)-2-methylpropanoic acid (PubChem CID 61262985) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(furan-3-carbonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(furan-3-carbonylamino)-2-methylpropanoic acid
PubChem CID61262985
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(furan-3-carbonylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccoc1)C(=O)O
InChIInChI=1S/C9H11NO4/c1-9(2,8(12)13)10-7(11)6-3-4-14-5-6/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyNLNYAGWLPYZKRF-UHFFFAOYSA-N
XLogP0.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
CID 63998131
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
CID 114314292
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
CID 106168112
furan-3-carboxylic acid;dihydrochloride
CID 141114987
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288
(furan-3-carbonylamino) 2,2-dimethylpropanoate
CID 170986081
N-chlorofuran-3-carboxamide
CID 144607311
N-(methylideneamino)furan-3-carboxamide
CID 130444128
N-methoxyfuran-3-carboxamide
CID 60701103

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-carbonylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(furan-3-carbonylamino)-2-methylpropanoic acid (CID 61262985) is 2-(furan-3-carbonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(furan-3-carbonylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(furan-3-carbonylamino)-2-methylpropanoic acid is CC(C)(NC(=O)c1ccoc1)C(=O)O.
What is the InChIKey of 2-(furan-3-carbonylamino)-2-methylpropanoic acid?
The InChIKey is NLNYAGWLPYZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-9(2,8(12)13)10-7(11)6-3-4-14-5-6/h3-5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(furan-3-carbonylamino)-2-methylpropanoic acid?
2-(furan-3-carbonylamino)-2-methylpropanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-carbonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 61262985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).