5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid

C15H19NO5 — CID 124683900

IUPAC5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
SMILESCCO[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)O)o2)C12CCC2
InChIInChI=1S/C15H19NO5/c1-2-20-12-8-11(15(12)6-3-7-15)16-13(17)9-4-5-10(21-9)14(18)19/h4-5,11-12H,2-3,6-8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyFYESNHXUCSBVRB-NEPJUHHUSA-N
MW293.32 g/mol
LogP2.06
Rot. Bonds5

About 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid

5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid (PubChem CID 124683900) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
PubChem CID124683900
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
SMILESCCO[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)O)o2)C12CCC2
InChIInChI=1S/C15H19NO5/c1-2-20-12-8-11(15(12)6-3-7-15)16-13(17)9-4-5-10(21-9)14(18)19/h4-5,11-12H,2-3,6-8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyFYESNHXUCSBVRB-NEPJUHHUSA-N
XLogP2.06
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
CID 100610935
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99810928
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
CID 113239526
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482
1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide
CID 97100576
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 95933296
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid (CID 124683900) is 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid is CCO[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)O)o2)C12CCC2.
What is the InChIKey of 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid?
The InChIKey is FYESNHXUCSBVRB-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-20-12-8-11(15(12)6-3-7-15)16-13(17)9-4-5-10(21-9)14(18)19/h4-5,11-12H,2-3,6-8H2,1H3,(H,16,17)(H,18,19)/t11-,12+/m1/s1.
What are the key properties of 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid?
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 124683900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).