2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid

C14H19NO4 — CID 114217905

IUPAC2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid
SMILESCC(C)C1(CNC(=O)c2ccoc2CC(=O)O)CC1
InChIInChI=1S/C14H19NO4/c1-9(2)14(4-5-14)8-15-13(18)10-3-6-19-11(10)7-12(16)17/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMJMRUZXPZYCDGV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds6

About 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid

2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid (PubChem CID 114217905) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid
PubChem CID114217905
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid
SMILESCC(C)C1(CNC(=O)c2ccoc2CC(=O)O)CC1
InChIInChI=1S/C14H19NO4/c1-9(2)14(4-5-14)8-15-13(18)10-3-6-19-11(10)7-12(16)17/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMJMRUZXPZYCDGV-UHFFFAOYSA-N
XLogP2.07
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
CID 114217757
2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid
CID 114217765
2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
CID 114217885
2-bromo-5-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103773778
2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid
CID 114217782
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114114627
5-fluoro-2-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742455
2-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 106547537
4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
CID 119801690
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 102977042

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid (CID 114217905) is 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid is CC(C)C1(CNC(=O)c2ccoc2CC(=O)O)CC1.
What is the InChIKey of 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid?
The InChIKey is MJMRUZXPZYCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)14(4-5-14)8-15-13(18)10-3-6-19-11(10)7-12(16)17/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid?
2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid is sourced from PubChem (CID 114217905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).