2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid

C23H26N2O6 — CID 84565799

IUPAC2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)NC(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C23H26N2O6/c1-30-18-9-5-6-10-19(18)31-15-21(27)25(17-11-12-17)14-13-20(26)24-22(23(28)29)16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3,(H,24,26)(H,28,29)
InChIKeyVUMNFBHSPNBNJG-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.40
Rot. Bonds11

About 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid

2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid (PubChem CID 84565799) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
PubChem CID84565799
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)NC(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C23H26N2O6/c1-30-18-9-5-6-10-19(18)31-15-21(27)25(17-11-12-17)14-13-20(26)24-22(23(28)29)16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3,(H,24,26)(H,28,29)
InChIKeyVUMNFBHSPNBNJG-UHFFFAOYSA-N
XLogP2.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 84564048
N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84565965
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84561909
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 84561868
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid (CID 84565799) is 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid is COc1ccccc1OCC(=O)N(CCC(=O)NC(C(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid?
The InChIKey is VUMNFBHSPNBNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-30-18-9-5-6-10-19(18)31-15-21(27)25(17-11-12-17)14-13-20(26)24-22(23(28)29)16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3,(H,24,26)(H,28,29).
What are the key properties of 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid?
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid has a molecular weight of 426.47 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 84565799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).