3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid

C14H20N2O4 — CID 79281949

IUPAC3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
SMILESCOCCNCC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-8-7-15-10-13(17)16-12(9-14(18)19)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGAGHULAGYZDVLB-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.55
Rot. Bonds9

About 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid

3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 79281949) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
PubChem CID79281949
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
SMILESCOCCNCC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-20-8-7-15-10-13(17)16-12(9-14(18)19)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGAGHULAGYZDVLB-UHFFFAOYSA-N
XLogP0.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 43358425
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
methyl 3-(3-bromophenyl)-3-[[2-(2-methoxyethylamino)acetyl]amino]propanoate;hydrochloride
CID 119750810
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
2-(2-methoxyethylamino)-N-[1-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119689364
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
3-[3-(ethylamino)propanoylamino]-3-phenylpropanoic acid
CID 62835144
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid (CID 79281949) is 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid is COCCNCC(=O)NC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is GAGHULAGYZDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-8-7-15-10-13(17)16-12(9-14(18)19)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid?
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 79281949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).