2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid

C12H15NO5 — CID 119213623

IUPAC2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESCOCc1ccc(C(=O)NC(C(=O)O)C2CC2)o1
InChIInChI=1S/C12H15NO5/c1-17-6-8-4-5-9(18-8)11(14)13-10(12(15)16)7-2-3-7/h4-5,7,10H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyRUGJQVCDIRODMD-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.02
Rot. Bonds6

About 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid

2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 119213623) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
PubChem CID119213623
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
SMILESCOCc1ccc(C(=O)NC(C(=O)O)C2CC2)o1
InChIInChI=1S/C12H15NO5/c1-17-6-8-4-5-9(18-8)11(14)13-10(12(15)16)7-2-3-7/h4-5,7,10H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyRUGJQVCDIRODMD-UHFFFAOYSA-N
XLogP1.02
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid
CID 120686714
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
5-(methoxymethyl)-N-(1-propylpiperidin-4-yl)furan-2-carboxamide
CID 78827546
2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
CID 62697237
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid (CID 119213623) is 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid is COCc1ccc(C(=O)NC(C(=O)O)C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is RUGJQVCDIRODMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-17-6-8-4-5-9(18-8)11(14)13-10(12(15)16)7-2-3-7/h4-5,7,10H,2-3,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid?
2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119213623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).