5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid

C10H13NO5 — CID 54775310

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO5/c1-10(2,3)16-9(14)11-7-5-4-6(15-7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyPFYDWHRLZSQWLB-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.32
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid (PubChem CID 54775310) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid
PubChem CID54775310
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO5/c1-10(2,3)16-9(14)11-7-5-4-6(15-7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyPFYDWHRLZSQWLB-UHFFFAOYSA-N
XLogP2.32
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid 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

Acetamide, N-(2-methoxycarbonylfuryl)-
CID 35757
Methyl 5-benzamidofuran-2-carboxylate
CID 2767872
Methyl 5-[(cyclopropylcarbonyl)amino]-2-furoate
CID 2767879
tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
CID 83680504
Ethyl 5-acetamido-2-furoate
CID 101243
Methyl 5-(2-chloroacetamido)-2-furoate
CID 2777680
2-Furancarboxylic acid, 5-amino-, ethyl ester
CID 167484
Diethyl 2-[[(5-methoxycarbonylfuran-2-yl)amino]methylidene]propanedioate
CID 2807392
6-oxo-4-(trifluoromethyl)-6H,7H-furo[2,3-b]pyridine-2-carboxylic acid
CID 25497594
Ethyl 5-{[ethoxy(oxo)acetyl]amino}furan-2-carboxylate
CID 271569
Stk367443
CID 3798771
Carbamic acid, (5-methyl-2-furanyl)-, 1,1-dimethylethyl ester
CID 10726590

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid (CID 54775310) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid?
The InChIKey is PFYDWHRLZSQWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-10(2,3)16-9(14)11-7-5-4-6(15-7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]furan-2-carboxylic acid is sourced from PubChem (CID 54775310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).