2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid

C15H19NO5 — CID 62696487

IUPAC2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid
SMILESCOc1ccc(OC(C)C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO5/c1-9(21-12-7-5-11(20-2)6-8-12)14(17)16-13(15(18)19)10-3-4-10/h5-10,13H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIRNPIXDNOYIDOD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds7

About 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid

2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid (PubChem CID 62696487) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid
PubChem CID62696487
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid
SMILESCOc1ccc(OC(C)C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO5/c1-9(21-12-7-5-11(20-2)6-8-12)14(17)16-13(15(18)19)10-3-4-10/h5-10,13H,3-4H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIRNPIXDNOYIDOD-UHFFFAOYSA-N
XLogP1.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-2-(4-methoxyphenoxy)propanamide
CID 47140492
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 104964890
3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 43353625
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120686703
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
2-[2-(3,4-difluorophenoxy)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548357
2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 46449829

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid (CID 62696487) is 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid is COc1ccc(OC(C)C(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid?
The InChIKey is IRNPIXDNOYIDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(21-12-7-5-11(20-2)6-8-12)14(17)16-13(15(18)19)10-3-4-10/h5-10,13H,3-4H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid?
2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(4-methoxyphenoxy)propanoylamino]acetic acid is sourced from PubChem (CID 62696487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).