2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid

C14H18N2O5 — CID 43387562

IUPAC2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
SMILESCc1ccc(OCCC(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-10-2-4-11(5-3-10)21-7-6-12(17)15-8-13(18)16-9-14(19)20/h2-5H,6-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyRMHKVNJABCHEIZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.08
Rot. Bonds8

About 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid

2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid (PubChem CID 43387562) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
PubChem CID43387562
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
SMILESCc1ccc(OCCC(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-10-2-4-11(5-3-10)21-7-6-12(17)15-8-13(18)16-9-14(19)20/h2-5H,6-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyRMHKVNJABCHEIZ-UHFFFAOYSA-N
XLogP0.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
CID 82042352
2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
CID 92923176
3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
2-[[3-(4-methylphenoxy)propanoylamino]methyl]pentanoic acid
CID 65223505
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid (CID 43387562) is 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid is Cc1ccc(OCCC(=O)NCC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid?
The InChIKey is RMHKVNJABCHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10-2-4-11(5-3-10)21-7-6-12(17)15-8-13(18)16-9-14(19)20/h2-5H,6-9H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid?
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).