3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid

C16H20N2O5 — CID 120535828

IUPAC3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid
SMILESO=C(COc1ccccc1)NCC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C16H20N2O5/c19-14(18-13(16(21)22)8-11-6-7-11)9-17-15(20)10-23-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyWXGWBIATZKOVBN-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.55
Rot. Bonds9

About 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid

3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid (PubChem CID 120535828) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid
PubChem CID120535828
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid
SMILESO=C(COc1ccccc1)NCC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C16H20N2O5/c19-14(18-13(16(21)22)8-11-6-7-11)9-17-15(20)10-23-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyWXGWBIATZKOVBN-UHFFFAOYSA-N
XLogP0.55
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119477453
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-[(2S)-1,1-diphenylpropan-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38595856
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535841

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid (CID 120535828) is 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid is O=C(COc1ccccc1)NCC(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid?
The InChIKey is WXGWBIATZKOVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c19-14(18-13(16(21)22)8-11-6-7-11)9-17-15(20)10-23-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid?
3-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid has a molecular weight of 320.34 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-cyclopropyl-2-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 120535828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).