methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate

C19H30N2O3 — CID 69236269

IUPACmethyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](CN(C)C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)11-15-7-9-16(10-8-15)14(3)18(22)20-17(12-21(4)5)19(23)24-6/h7-10,13-14,17H,11-12H2,1-6H3,(H,20,22)/t14-,17+/m0/s1
InChIKeyYVOLIIDDDOJJID-WMLDXEAASA-N
MW334.46 g/mol
LogP2.21
Rot. Bonds8

About methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate

methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate (PubChem CID 69236269) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate
PubChem CID69236269
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Namemethyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](CN(C)C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)11-15-7-9-16(10-8-15)14(3)18(22)20-17(12-21(4)5)19(23)24-6/h7-10,13-14,17H,11-12H2,1-6H3,(H,20,22)/t14-,17+/m0/s1
InChIKeyYVOLIIDDDOJJID-WMLDXEAASA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[(2R)-4-amino-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-4-oxobutanoyl]amino]propanoate
CID 146388769
(2S)-3-methoxy-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
CID 68530815
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
CID 175979048
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11817897
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 89455397
methyl 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoate
CID 21271292
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 69237814
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate (CID 69236269) is methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate is COC(=O)[C@@H](CN(C)C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate?
The InChIKey is YVOLIIDDDOJJID-WMLDXEAASA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)11-15-7-9-16(10-8-15)14(3)18(22)20-17(12-21(4)5)19(23)24-6/h7-10,13-14,17H,11-12H2,1-6H3,(H,20,22)/t14-,17+/m0/s1.
What are the key properties of methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate?
methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate has a molecular weight of 334.46 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate is sourced from PubChem (CID 69236269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).