ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate

C12H16ClNO3 — CID 124503178

IUPACethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
SMILESCCOC(=O)[C@@H](CC)Oc1ccc(Cl)cc1N
InChIInChI=1S/C12H16ClNO3/c1-3-10(12(15)16-4-2)17-11-6-5-8(13)7-9(11)14/h5-7,10H,3-4,14H2,1-2H3/t10-/m1/s1
InChIKeyFFSLDEXWNMSBTG-SNVBAGLBSA-N
MW257.72 g/mol
LogP2.64
Rot. Bonds5

About ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate

ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate (PubChem CID 124503178) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
PubChem CID124503178
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Nameethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
SMILESCCOC(=O)[C@@H](CC)Oc1ccc(Cl)cc1N
InChIInChI=1S/C12H16ClNO3/c1-3-10(12(15)16-4-2)17-11-6-5-8(13)7-9(11)14/h5-7,10H,3-4,14H2,1-2H3/t10-/m1/s1
InChIKeyFFSLDEXWNMSBTG-SNVBAGLBSA-N
XLogP2.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(5-chloro-2-nitrophenoxy)butanoate
CID 64662459
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83041897
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
ethyl 2-(2-chloro-4-cyanophenoxy)butanoate
CID 60667384
ethyl 2-(2,4-dibromophenoxy)butanoate
CID 60730897
ethyl 2-[4-(2-aminopropyl)-2-chlorophenoxy]butanoate
CID 64662197
2-(1-ethoxy-1-oxobutan-2-yl)oxy-5-methylbenzoic acid
CID 64662565
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
2-(2,5-dichlorophenoxy)butanamide
CID 62901251

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate?
The IUPAC name of ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate (CID 124503178) is ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate.
What is the SMILES notation for ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate?
The canonical SMILES for ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate is CCOC(=O)[C@@H](CC)Oc1ccc(Cl)cc1N.
What is the InChIKey of ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate?
The InChIKey is FFSLDEXWNMSBTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-10(12(15)16-4-2)17-11-6-5-8(13)7-9(11)14/h5-7,10H,3-4,14H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate?
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate has a molecular weight of 257.72 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate is sourced from PubChem (CID 124503178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).