2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid

C13H17NO5 — CID 53264145

IUPAC2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
SMILESCOc1cccc(OC(C)C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-8(13(16)17)14-12(15)9(2)19-11-6-4-5-10(7-11)18-3/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyRTDFODKKXNBMGD-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.05
Rot. Bonds6

About 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid

2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid (PubChem CID 53264145) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
PubChem CID53264145
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
SMILESCOc1cccc(OC(C)C(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-8(13(16)17)14-12(15)9(2)19-11-6-4-5-10(7-11)18-3/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyRTDFODKKXNBMGD-UHFFFAOYSA-N
XLogP1.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid
CID 53264150
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid?
The IUPAC name of 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid (CID 53264145) is 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid is COc1cccc(OC(C)C(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid?
The InChIKey is RTDFODKKXNBMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(13(16)17)14-12(15)9(2)19-11-6-4-5-10(7-11)18-3/h4-9H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid?
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid is sourced from PubChem (CID 53264145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).