[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium

C18H27FN3O2+ — CID 9133689

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-12(2)17(13-7-9-14(19)10-8-13)20-11-16(23)22-18(24)21-15-5-3-4-6-15/h7-10,12,15,17,20H,3-6,11H2,1-2H3,(H2,21,22,23,24)/p+1/t17-/m0/s1
InChIKeyFTLBWAMYLYGSEG-KRWDZBQOSA-O
MW336.43 g/mol
LogP1.85
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium (PubChem CID 9133689) has the molecular formula C18H27FN3O2+ and a molecular weight of 336.43 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
PubChem CID9133689
Molecular FormulaC18H27FN3O2+
Molecular Weight336.43 g/mol
Exact Mass336.21
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-12(2)17(13-7-9-14(19)10-8-13)20-11-16(23)22-18(24)21-15-5-3-4-6-15/h7-10,12,15,17,20H,3-6,11H2,1-2H3,(H2,21,22,23,24)/p+1/t17-/m0/s1
InChIKeyFTLBWAMYLYGSEG-KRWDZBQOSA-O
XLogP1.85
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium with MolForge

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Related Compounds

[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133208
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133831
[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9133436
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9134156
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]azanium
CID 9306248
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8919610

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium (CID 9133689) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium is CC(C)[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The InChIKey is FTLBWAMYLYGSEG-KRWDZBQOSA-O. The full InChI is InChI=1S/C18H26FN3O2/c1-12(2)17(13-7-9-14(19)10-8-13)20-11-16(23)22-18(24)21-15-5-3-4-6-15/h7-10,12,15,17,20H,3-6,11H2,1-2H3,(H2,21,22,23,24)/p+1/t17-/m0/s1.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium has a molecular weight of 336.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 9133689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).