[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium

C16H19N2O4+ — CID 8756395

IUPAC[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
SMILESCOC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C16H18N2O4/c1-11(15(19)18-16(20)21-2)17-14(13-9-6-10-22-13)12-7-4-3-5-8-12/h3-11,14,17H,1-2H3,(H,18,19,20)/p+1/t11-,14-/m0/s1
InChIKeySNOZCTRGEKCXNQ-FZMZJTMJSA-O
MW303.34 g/mol
LogP1.20
Rot. Bonds5

About [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium

[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8756395) has the molecular formula C16H19N2O4+ and a molecular weight of 303.34 g/mol. Its IUPAC name is [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
PubChem CID8756395
Molecular FormulaC16H19N2O4+
Molecular Weight303.34 g/mol
Exact Mass303.13
IUPAC Name[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
SMILESCOC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C16H18N2O4/c1-11(15(19)18-16(20)21-2)17-14(13-9-6-10-22-13)12-7-4-3-5-8-12/h3-11,14,17H,1-2H3,(H,18,19,20)/p+1/t11-,14-/m0/s1
InChIKeySNOZCTRGEKCXNQ-FZMZJTMJSA-O
XLogP1.20
TPSA85.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641282
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[(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
[(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-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155

Frequently Asked Questions

What is the IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium (CID 8756395) is [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium is COC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is SNOZCTRGEKCXNQ-FZMZJTMJSA-O. The full InChI is InChI=1S/C16H18N2O4/c1-11(15(19)18-16(20)21-2)17-14(13-9-6-10-22-13)12-7-4-3-5-8-12/h3-11,14,17H,1-2H3,(H,18,19,20)/p+1/t11-,14-/m0/s1.
What are the key properties of [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 303.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8756395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).