methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate

C15H19NO4 — CID 79506458

IUPACmethyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C(C)C2CC2)c1
InChIInChI=1S/C15H19NO4/c1-10(11-6-7-11)15(18)16-12-4-3-5-13(8-12)20-9-14(17)19-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyLYCCSUOGJSECNY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate

methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate (PubChem CID 79506458) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
PubChem CID79506458
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C(C)C2CC2)c1
InChIInChI=1S/C15H19NO4/c1-10(11-6-7-11)15(18)16-12-4-3-5-13(8-12)20-9-14(17)19-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyLYCCSUOGJSECNY-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
CID 60750976
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 78982577
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate (CID 79506458) is methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate is COC(=O)COc1cccc(NC(=O)C(C)C2CC2)c1.
What is the InChIKey of methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate?
The InChIKey is LYCCSUOGJSECNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(11-6-7-11)15(18)16-12-4-3-5-13(8-12)20-9-14(17)19-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate?
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate has a molecular weight of 277.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate is sourced from PubChem (CID 79506458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).