[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride

C10H15ClN2O2 — CID 11447576

IUPAC[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
SMILESNC(=O)[C@@H]([NH3+])COCc1ccccc1.[Cl-]
InChIInChI=1S/C10H14N2O2.ClH/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H2,12,13);1H/t9-;/m0./s1
InChIKeyUFDKKWDLFRYOLU-FVGYRXGTSA-N
MW230.70 g/mol
LogP-3.70
Rot. Bonds5

About [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride

[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride (PubChem CID 11447576) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
PubChem CID11447576
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Name[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
SMILESNC(=O)[C@@H]([NH3+])COCc1ccccc1.[Cl-]
InChIInChI=1S/C10H14N2O2.ClH/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H2,12,13);1H/t9-;/m0./s1
InChIKeyUFDKKWDLFRYOLU-FVGYRXGTSA-N
XLogP-3.70
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 5-3.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 174753474
[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 175249859
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
(1-carboxy-2-phenylmethoxyethyl)azanide;platinum(2+)
CID 20617400
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
(1-chloro-3-phenylmethoxypropan-2-yl)urea
CID 86055606
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride (CID 11447576) is [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride is NC(=O)[C@@H]([NH3+])COCc1ccccc1.[Cl-].
What is the InChIKey of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride?
The InChIKey is UFDKKWDLFRYOLU-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H2,12,13);1H/t9-;/m0./s1.
What are the key properties of [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride?
[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride has a molecular weight of 230.70 g/mol, XLogP of -3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride is sourced from PubChem (CID 11447576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).