[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C14H17N2O2+ — CID 8755615

IUPAC[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H]([NH2+][C@H](c1ccccc1)c1ccco1)C(N)=O
InChIInChI=1S/C14H16N2O2/c1-10(14(15)17)16-13(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-10,13,16H,1H3,(H2,15,17)/p+1/t10-,13-/m1/s1
InChIKeyJQECCGHVUAXIKF-ZWNOBZJWSA-O
MW245.30 g/mol
LogP0.81
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8755615) has the molecular formula C14H17N2O2+ and a molecular weight of 245.30 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8755615
Molecular FormulaC14H17N2O2+
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H]([NH2+][C@H](c1ccccc1)c1ccco1)C(N)=O
InChIInChI=1S/C14H16N2O2/c1-10(14(15)17)16-13(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-10,13,16H,1H3,(H2,15,17)/p+1/t10-,13-/m1/s1
InChIKeyJQECCGHVUAXIKF-ZWNOBZJWSA-O
XLogP0.81
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755189
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696261
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8756577
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755341
[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755533
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8755615) is [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium is C[C@@H]([NH2+][C@H](c1ccccc1)c1ccco1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is JQECCGHVUAXIKF-ZWNOBZJWSA-O. The full InChI is InChI=1S/C14H16N2O2/c1-10(14(15)17)16-13(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-10,13,16H,1H3,(H2,15,17)/p+1/t10-,13-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 245.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8755615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).