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

C15H19NO5 — CID 60843698

IUPAC3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C15H19NO5/c1-20-12-4-2-3-5-13(12)21-10-14(17)16(11-6-7-11)9-8-15(18)19/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyNMPVEMNGEXSMSN-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.54
Rot. Bonds8

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

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 60843698) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID60843698
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C15H19NO5/c1-20-12-4-2-3-5-13(12)21-10-14(17)16(11-6-7-11)9-8-15(18)19/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyNMPVEMNGEXSMSN-UHFFFAOYSA-N
XLogP1.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
CID 84565799
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
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
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 84561908
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
3-[[2-(2-cyanophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60844199
ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
CID 84561912

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid (CID 60843698) is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid is COc1ccccc1OCC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is NMPVEMNGEXSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-12-4-2-3-5-13(12)21-10-14(17)16(11-6-7-11)9-8-15(18)19/h2-5,11H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 60843698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).