methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate

C10H12ClNO3 — CID 99737689

IUPACmethyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
SMILESCOC(=O)[C@@H](N)COc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)9(12)6-15-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3/t9-/m0/s1
InChIKeyUEUOCMPYNOPRAU-VIFPVBQESA-N
MW229.66 g/mol
LogP1.22
Rot. Bonds4

About methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate

methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate (PubChem CID 99737689) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
PubChem CID99737689
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
SMILESCOC(=O)[C@@H](N)COc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)9(12)6-15-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3/t9-/m0/s1
InChIKeyUEUOCMPYNOPRAU-VIFPVBQESA-N
XLogP1.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
methyl 2-amino-3-bis(4-chlorophenoxy)boranyloxypropanoate
CID 67074575
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl 4-[4-(4-chlorobenzoyl)phenoxy]-2,3-dimethylbutanoate
CID 146594268
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
methyl 2-amino-3-[4-[3-hydroxy-2-(hydroxymethyl)propoxy]phenyl]propanoate
CID 59552371

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate (CID 99737689) is methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate is COC(=O)[C@@H](N)COc1ccc(Cl)cc1.
What is the InChIKey of methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate?
The InChIKey is UEUOCMPYNOPRAU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-10(13)9(12)6-15-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate?
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate has a molecular weight of 229.66 g/mol, XLogP of 1.22, 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-3-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 99737689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).