(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid

C14H19NO6 — CID 107834053

IUPAC(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
SMILESCCOc1ccc(OCC(=O)NCC[C@H](O)C(=O)O)cc1
InChIInChI=1S/C14H19NO6/c1-2-20-10-3-5-11(6-4-10)21-9-13(17)15-8-7-12(16)14(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyZCWNDRWWROPSAN-LBPRGKRZSA-N
MW297.31 g/mol
LogP0.42
Rot. Bonds9

About (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid (PubChem CID 107834053) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
PubChem CID107834053
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
SMILESCCOc1ccc(OCC(=O)NCC[C@H](O)C(=O)O)cc1
InChIInChI=1S/C14H19NO6/c1-2-20-10-3-5-11(6-4-10)21-9-13(17)15-8-7-12(16)14(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyZCWNDRWWROPSAN-LBPRGKRZSA-N
XLogP0.42
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
CID 113465944
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108537687
2-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 107832577
(2R)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822845
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid (CID 107834053) is (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid is CCOc1ccc(OCC(=O)NCC[C@H](O)C(=O)O)cc1.
What is the InChIKey of (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid?
The InChIKey is ZCWNDRWWROPSAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO6/c1-2-20-10-3-5-11(6-4-10)21-9-13(17)15-8-7-12(16)14(18)19/h3-6,12,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107834053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).