[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium

C19H32N3O2+ — CID 8996028

IUPAC[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
SMILESCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-12(2)11-15-7-9-16(10-8-15)17(13(3)4)21-14(5)18(23)22-19(24)20-6/h7-10,12-14,17,21H,11H2,1-6H3,(H2,20,22,23,24)/p+1/t14-,17+/m0/s1
InChIKeyGUBLRMSCBWXGHT-WMLDXEAASA-O
MW334.48 g/mol
LogP1.99
Rot. Bonds7

About [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium (PubChem CID 8996028) has the molecular formula C19H32N3O2+ and a molecular weight of 334.48 g/mol. Its IUPAC name is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
PubChem CID8996028
Molecular FormulaC19H32N3O2+
Molecular Weight334.48 g/mol
Exact Mass334.25
IUPAC Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
SMILESCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C19H31N3O2/c1-12(2)11-15-7-9-16(10-8-15)17(13(3)4)21-14(5)18(23)22-19(24)20-6/h7-10,12-14,17,21H,11H2,1-6H3,(H2,20,22,23,24)/p+1/t14-,17+/m0/s1
InChIKeyGUBLRMSCBWXGHT-WMLDXEAASA-O
XLogP1.99
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996150
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 9129711
[(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8998517
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8996249
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970393
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 9129750
[2-(methylcarbamoylamino)-2-oxoethyl]-[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]azanium
CID 9126198
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9393814
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium (CID 8996028) is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium.
What is the SMILES notation for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The canonical SMILES for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium is CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The InChIKey is GUBLRMSCBWXGHT-WMLDXEAASA-O. The full InChI is InChI=1S/C19H31N3O2/c1-12(2)11-15-7-9-16(10-8-15)17(13(3)4)21-14(5)18(23)22-19(24)20-6/h7-10,12-14,17,21H,11H2,1-6H3,(H2,20,22,23,24)/p+1/t14-,17+/m0/s1.
What are the key properties of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium has a molecular weight of 334.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium is sourced from PubChem (CID 8996028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).