(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid

C13H17NO6 — CID 107822898

IUPAC(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
SMILESCOc1ccccc1OCC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C13H17NO6/c1-19-10-4-2-3-5-11(10)20-8-12(16)14-9(6-7-15)13(17)18/h2-5,9,15H,6-8H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyJIDXACJJUWRCMY-SECBINFHSA-N
MW283.28 g/mol
LogP0.03
Rot. Bonds8

About (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid (PubChem CID 107822898) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
PubChem CID107822898
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
SMILESCOc1ccccc1OCC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C13H17NO6/c1-19-10-4-2-3-5-11(10)20-8-12(16)14-9(6-7-15)13(17)18/h2-5,9,15H,6-8H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyJIDXACJJUWRCMY-SECBINFHSA-N
XLogP0.03
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-2-[[2-(2-methylphenoxy)acetyl]amino]butanoic acid
CID 114004863
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 61242926
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
CID 107563000
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid (CID 107822898) is (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid is COc1ccccc1OCC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The InChIKey is JIDXACJJUWRCMY-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO6/c1-19-10-4-2-3-5-11(10)20-8-12(16)14-9(6-7-15)13(17)18/h2-5,9,15H,6-8H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid has a molecular weight of 283.28 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 107822898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).