[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium

C17H25FN3O2+ — CID 8978261

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
SMILESCC[C@H](C)NC(=O)NC(=O)C[NH+](Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)19-17(23)20-16(22)11-21(14-8-9-14)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,22,23)/p+1/t12-/m0/s1
InChIKeyXDBAPPDVKYSIIY-LBPRGKRZSA-O
MW322.40 g/mol
LogP1.00
Rot. Bonds7

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium (PubChem CID 8978261) has the molecular formula C17H25FN3O2+ and a molecular weight of 322.40 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
PubChem CID8978261
Molecular FormulaC17H25FN3O2+
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
SMILESCC[C@H](C)NC(=O)NC(=O)C[NH+](Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)19-17(23)20-16(22)11-21(14-8-9-14)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,22,23)/p+1/t12-/m0/s1
InChIKeyXDBAPPDVKYSIIY-LBPRGKRZSA-O
XLogP1.00
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(2-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8978104
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 8978143
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8906036
N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8978259
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977593
cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977686
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977699
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977548
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8978211
cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8977982

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium (CID 8978261) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium is CC[C@H](C)NC(=O)NC(=O)C[NH+](Cc1ccccc1F)C1CC1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
The InChIKey is XDBAPPDVKYSIIY-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H24FN3O2/c1-3-12(2)19-17(23)20-16(22)11-21(14-8-9-14)10-13-6-4-5-7-15(13)18/h4-7,12,14H,3,8-11H2,1-2H3,(H2,19,20,22,23)/p+1/t12-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium has a molecular weight of 322.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8978261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).