sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid

C16H18NNaO3 — CID 173391415

IUPACsodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
SMILESO=C(O)CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C16H17NO3.Na.H/c18-14(19)11-17-15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13;;/h1-10,15-17,20H,11H2,(H,18,19);;/q;+1;-1/t15-,16-;;/m0../s1
InChIKeySDUPSMMPAYVRQD-SXBSVMRRSA-N
MW295.31 g/mol
LogP-0.75
Rot. Bonds6

About sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid

sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid (PubChem CID 173391415) has the molecular formula C16H18NNaO3 and a molecular weight of 295.31 g/mol. Its IUPAC name is sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid.

Molecular Properties

Compound Namesodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
PubChem CID173391415
Molecular FormulaC16H18NNaO3
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namesodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
SMILESO=C(O)CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C16H17NO3.Na.H/c18-14(19)11-17-15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13;;/h1-10,15-17,20H,11H2,(H,18,19);;/q;+1;-1/t15-,16-;;/m0../s1
InChIKeySDUPSMMPAYVRQD-SXBSVMRRSA-N
XLogP-0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 14093660
3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
CID 14391185
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2-(2-methylsulfanylethylamino)-1,2-diphenylethanol
CID 19806393
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
4-hydroxy-3-(2-hydroxyethylamino)-4-phenylbutanoic acid
CID 82347220
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348
N'-acetyl-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetohydrazide
CID 9132759

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
The IUPAC name of sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid (CID 173391415) is sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid.
What is the SMILES notation for sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
The canonical SMILES for sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid is O=C(O)CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
The InChIKey is SDUPSMMPAYVRQD-SXBSVMRRSA-N. The full InChI is InChI=1S/C16H17NO3.Na.H/c18-14(19)11-17-15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13;;/h1-10,15-17,20H,11H2,(H,18,19);;/q;+1;-1/t15-,16-;;/m0../s1.
What are the key properties of sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid?
sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid has a molecular weight of 295.31 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid is sourced from PubChem (CID 173391415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).