methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride

C11H16ClNO3 — CID 44630138

IUPACmethyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)COCc1ccccc1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyUDHSAWHYRXHQJP-PPHPATTJSA-N
MW245.71 g/mol
LogP1.13
Rot. Bonds5

About methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride

methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride (PubChem CID 44630138) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
PubChem CID44630138
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namemethyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)COCc1ccccc1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyUDHSAWHYRXHQJP-PPHPATTJSA-N
XLogP1.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
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methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491
(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
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methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
3-O-benzyl 1-O-methyl 2-aminopropanedioate;hydrochloride
CID 14861668
2-amino-3-methoxy-N-(1-phenyl-2-phenylmethoxyethyl)propanamide;hydrochloride
CID 120990600
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
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methyl (2S)-2-(dibenzylamino)-3-phenylmethoxypropanoate
CID 15549566

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride (CID 44630138) is methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride is COC(=O)[C@@H](N)COCc1ccccc1.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride?
The InChIKey is UDHSAWHYRXHQJP-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride?
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride is sourced from PubChem (CID 44630138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).