methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride

C11H16ClNO3 — CID 171205678

IUPACmethyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
SMILESCCOc1cccc([C@H](N)C(=O)OC)c1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-3-15-9-6-4-5-8(7-9)10(12)11(13)14-2;/h4-7,10H,3,12H2,1-2H3;1H/t10-;/m0./s1
InChIKeyNDYMXJCPPZZRRE-PPHPATTJSA-N
MW245.71 g/mol
LogP1.68
Rot. Bonds4

About methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride

methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride (PubChem CID 171205678) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
PubChem CID171205678
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namemethyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
SMILESCCOc1cccc([C@H](N)C(=O)OC)c1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-3-15-9-6-4-5-8(7-9)10(12)11(13)14-2;/h4-7,10H,3,12H2,1-2H3;1H/t10-;/m0./s1
InChIKeyNDYMXJCPPZZRRE-PPHPATTJSA-N
XLogP1.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
CID 112508347
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
CID 171228220
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride (CID 171205678) is methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride is CCOc1cccc([C@H](N)C(=O)OC)c1.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride?
The InChIKey is NDYMXJCPPZZRRE-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-3-15-9-6-4-5-8(7-9)10(12)11(13)14-2;/h4-7,10H,3,12H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 171205678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).