[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

C19H23N2O3+ — CID 8641282

IUPAC[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCOC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-9-11-16(12-10-13)17(15-7-5-4-6-8-15)20-14(2)18(22)21-19(23)24-3/h4-12,14,17,20H,1-3H3,(H,21,22,23)/p+1/t14-,17-/m1/s1
InChIKeyIXOMVXVTNFIYCD-RHSMWYFYSA-O
MW327.40 g/mol
LogP1.92
Rot. Bonds5

About [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 8641282) has the molecular formula C19H23N2O3+ and a molecular weight of 327.40 g/mol. Its IUPAC name is [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID8641282
Molecular FormulaC19H23N2O3+
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCOC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-9-11-16(12-10-13)17(15-7-5-4-6-8-15)20-14(2)18(22)21-19(23)24-3/h4-12,14,17,20H,1-3H3,(H,21,22,23)/p+1/t14-,17-/m1/s1
InChIKeyIXOMVXVTNFIYCD-RHSMWYFYSA-O
XLogP1.92
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]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

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391958
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640864
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392111
[(S)-(4-methylphenyl)-phenylmethyl]-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
CID 9391984
[(1S)-1-(4-chlorophenyl)ethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8637164
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392181
benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8545459

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (CID 8641282) is [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is COC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is IXOMVXVTNFIYCD-RHSMWYFYSA-O. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-11-16(12-10-13)17(15-7-5-4-6-8-15)20-14(2)18(22)21-19(23)24-3/h4-12,14,17,20H,1-3H3,(H,21,22,23)/p+1/t14-,17-/m1/s1.
What are the key properties of [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 327.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 8641282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).