[(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium

C19H31N2O+ — CID 8995475

IUPAC[(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-13(2)18(21-14(3)19(20)22)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-15,18,21H,4-8H2,1-3H3,(H2,20,22)/p+1/t14-,18+/m0/s1
InChIKeyWKGMJQKWNQBTJD-KBXCAEBGSA-O
MW303.47 g/mol
LogP2.87
Rot. Bonds6

About [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium

[(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium (PubChem CID 8995475) has the molecular formula C19H31N2O+ and a molecular weight of 303.47 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
PubChem CID8995475
Molecular FormulaC19H31N2O+
Molecular Weight303.47 g/mol
Exact Mass303.24
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-13(2)18(21-14(3)19(20)22)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-15,18,21H,4-8H2,1-3H3,(H2,20,22)/p+1/t14-,18+/m0/s1
InChIKeyWKGMJQKWNQBTJD-KBXCAEBGSA-O
XLogP2.87
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium (CID 8995475) is [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium is CC(C)[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
The InChIKey is WKGMJQKWNQBTJD-KBXCAEBGSA-O. The full InChI is InChI=1S/C19H30N2O/c1-13(2)18(21-14(3)19(20)22)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-15,18,21H,4-8H2,1-3H3,(H2,20,22)/p+1/t14-,18+/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium?
[(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium has a molecular weight of 303.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 8995475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).