[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium

C19H23FN3O2+ — CID 8830016

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
SMILESCCc1ccc([C@H]([NH2+][C@H](C)C(=O)NC(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-3-13-7-9-14(10-8-13)17(15-5-4-6-16(20)11-15)22-12(2)18(24)23-19(21)25/h4-12,17,22H,3H2,1-2H3,(H3,21,23,24,25)/p+1/t12-,17+/m1/s1
InChIKeyZDIWQZFVYFWLPT-PXAZEXFGSA-O
MW344.41 g/mol
LogP1.62
Rot. Bonds6

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium (PubChem CID 8830016) has the molecular formula C19H23FN3O2+ and a molecular weight of 344.41 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
PubChem CID8830016
Molecular FormulaC19H23FN3O2+
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
SMILESCCc1ccc([C@H]([NH2+][C@H](C)C(=O)NC(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-3-13-7-9-14(10-8-13)17(15-5-4-6-16(20)11-15)22-12(2)18(24)23-19(21)25/h4-12,17,22H,3H2,1-2H3,(H3,21,23,24,25)/p+1/t12-,17+/m1/s1
InChIKeyZDIWQZFVYFWLPT-PXAZEXFGSA-O
XLogP1.62
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8774439
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769393
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830405
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8720126
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720093
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769465
benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 9445898
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719937
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719920
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8830223
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8720072

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium (CID 8830016) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium is CCc1ccc([C@H]([NH2+][C@H](C)C(=O)NC(N)=O)c2cccc(F)c2)cc1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
The InChIKey is ZDIWQZFVYFWLPT-PXAZEXFGSA-O. The full InChI is InChI=1S/C19H22FN3O2/c1-3-13-7-9-14(10-8-13)17(15-5-4-6-16(20)11-15)22-12(2)18(24)23-19(21)25/h4-12,17,22H,3H2,1-2H3,(H3,21,23,24,25)/p+1/t12-,17+/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium has a molecular weight of 344.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8830016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).