methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate

C11H14ClNO3 — CID 99737716

IUPACmethyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
SMILESCOC(=O)[C@H](N)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c1-7(10(13)11(14)15-2)16-9-6-4-3-5-8(9)12/h3-7,10H,13H2,1-2H3/t7-,10+/m0/s1
InChIKeyXGCQEASCQUKHDJ-OIBJUYFYSA-N
MW243.69 g/mol
LogP1.61
Rot. Bonds4

About methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate

methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate (PubChem CID 99737716) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
PubChem CID99737716
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Namemethyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
SMILESCOC(=O)[C@H](N)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c1-7(10(13)11(14)15-2)16-9-6-4-3-5-8(9)12/h3-7,10H,13H2,1-2H3/t7-,10+/m0/s1
InChIKeyXGCQEASCQUKHDJ-OIBJUYFYSA-N
XLogP1.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2-chlorophenoxy)butanoate
CID 86263211
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 79676776
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
CID 70532958
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
methyl 2-amino-3-(4-bromophenoxy)butanoate
CID 86263225
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate?
The IUPAC name of methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate (CID 99737716) is methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate.
What is the SMILES notation for methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate?
The canonical SMILES for methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate is COC(=O)[C@H](N)[C@H](C)Oc1ccccc1Cl.
What is the InChIKey of methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate?
The InChIKey is XGCQEASCQUKHDJ-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(10(13)11(14)15-2)16-9-6-4-3-5-8(9)12/h3-7,10H,13H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate?
methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate has a molecular weight of 243.69 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate is sourced from PubChem (CID 99737716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).