lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid

C18H20LiNO4 — CID 174145351

IUPAClithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
SMILESCN(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C18H19NO4.Li.H/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14;;/h2-11,16H,12-13H2,1H3,(H,20,21);;/q;+1;-1/t16-;;/m0../s1
InChIKeyANTOZRFXKPTSEM-SQKCAUCHSA-N
MW321.30 g/mol
LogP0.07
Rot. Bonds6

About lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid

lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid (PubChem CID 174145351) has the molecular formula C18H20LiNO4 and a molecular weight of 321.30 g/mol. Its IUPAC name is lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Namelithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
PubChem CID174145351
Molecular FormulaC18H20LiNO4
Molecular Weight321.30 g/mol
Exact Mass321.16
IUPAC Namelithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
SMILESCN(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C18H19NO4.Li.H/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14;;/h2-11,16H,12-13H2,1H3,(H,20,21);;/q;+1;-1/t16-;;/m0../s1
InChIKeyANTOZRFXKPTSEM-SQKCAUCHSA-N
XLogP0.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22065911
3-[4-(difluoromethyl)phenyl]-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 156691133
2-[methyl(phenylmethoxycarbonyl)amino]-3-pyridin-3-ylpropanoic acid
CID 156690970
N-ethyl-N-propan-2-ylpropan-2-amine;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 70444434
2-[methyl(prop-2-enoxycarbonyl)amino]-3-phenylpropanoic acid
CID 22065908
methyl (2S)-3-(4-aminophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 70072973
(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid
CID 162974941
(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-4-[(R)-methylsulfinyl]butanoic acid
CID 11088297
4-ethylsulfanyl-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 116504420
(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 91613771
(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-prop-2-enoxypropanoic acid
CID 163364384
[ditert-butyl(2-methylpropyl)silyl] (2S)-2-[methyl-[(2S)-2-[methyl-[(2S)-2-[methyl-[(2S)-2-[methyl-[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate;(2S)-2-[methyl-[(2S)-2-[methyl-[(2S)-2-[methyl-[(2S)-2-[methyl-[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 158044979

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid (CID 174145351) is lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid is CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is ANTOZRFXKPTSEM-SQKCAUCHSA-N. The full InChI is InChI=1S/C18H19NO4.Li.H/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14;;/h2-11,16H,12-13H2,1H3,(H,20,21);;/q;+1;-1/t16-;;/m0../s1.
What are the key properties of lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid?
lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 321.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 174145351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).