[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C15H24N3O2+ — CID 8897926

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-11(2)17-15(20)18-14(19)10-16-12(3)13-8-6-5-7-9-13/h5-9,11-12,16H,4,10H2,1-3H3,(H2,17,18,19,20)/p+1/t11-,12-/m1/s1
InChIKeyZELDZAONMKBSAM-VXGBXAGGSA-O
MW278.38 g/mol
LogP0.94
Rot. Bonds6

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 8897926) has the molecular formula C15H24N3O2+ and a molecular weight of 278.38 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID8897926
Molecular FormulaC15H24N3O2+
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESCC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-11(2)17-15(20)18-14(19)10-16-12(3)13-8-6-5-7-9-13/h5-9,11-12,16H,4,10H2,1-3H3,(H2,17,18,19,20)/p+1/t11-,12-/m1/s1
InChIKeyZELDZAONMKBSAM-VXGBXAGGSA-O
XLogP0.94
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium with MolForge

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
CID 9393890
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720424
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]azanium
CID 9001565
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]azanium
CID 9001563
2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8545632
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897547
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 8897926) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is CC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is ZELDZAONMKBSAM-VXGBXAGGSA-O. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(2)17-15(20)18-14(19)10-16-12(3)13-8-6-5-7-9-13/h5-9,11-12,16H,4,10H2,1-3H3,(H2,17,18,19,20)/p+1/t11-,12-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 278.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 8897926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).