[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C14H20N3O2+ — CID 8898048

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10(11-5-3-2-4-6-11)15-9-13(18)17-14(19)16-12-7-8-12/h2-6,10,12,15H,7-9H2,1H3,(H2,16,17,18,19)/p+1/t10-/m1/s1
InChIKeyLHTOVIKWPBERMT-SNVBAGLBSA-O
MW262.33 g/mol
LogP0.30
Rot. Bonds5

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 8898048) has the molecular formula C14H20N3O2+ and a molecular weight of 262.33 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID8898048
Molecular FormulaC14H20N3O2+
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10(11-5-3-2-4-6-11)15-9-13(18)17-14(19)16-12-7-8-12/h2-6,10,12,15H,7-9H2,1H3,(H2,16,17,18,19)/p+1/t10-/m1/s1
InChIKeyLHTOVIKWPBERMT-SNVBAGLBSA-O
XLogP0.30
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium with MolForge

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8920889
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897926
[(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
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755215
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
N-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 86932181
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46658533
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897547
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133689

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 8898048) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is LHTOVIKWPBERMT-SNVBAGLBSA-O. The full InChI is InChI=1S/C14H19N3O2/c1-10(11-5-3-2-4-6-11)15-9-13(18)17-14(19)16-12-7-8-12/h2-6,10,12,15H,7-9H2,1H3,(H2,16,17,18,19)/p+1/t10-/m1/s1.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 262.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 8898048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).