2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid

C14H19NO5 — CID 43171627

IUPAC2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
SMILESCCOc1ccccc1CCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C14H19NO5/c1-2-20-12-6-4-3-5-10(12)7-8-13(17)15-11(9-16)14(18)19/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyDTEJURBLSQBYRP-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.58
Rot. Bonds8

About 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid

2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid (PubChem CID 43171627) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
PubChem CID43171627
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
SMILESCCOc1ccccc1CCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C14H19NO5/c1-2-20-12-6-4-3-5-10(12)7-8-13(17)15-11(9-16)14(18)19/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyDTEJURBLSQBYRP-UHFFFAOYSA-N
XLogP0.58
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
CID 62696875
N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
CID 80750195
4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
CID 43240218
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 87011276
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134049400
3-(2-ethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43393251
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid (CID 43171627) is 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid is CCOc1ccccc1CCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid?
The InChIKey is DTEJURBLSQBYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-20-12-6-4-3-5-10(12)7-8-13(17)15-11(9-16)14(18)19/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid?
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43171627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).