methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate

C14H18N2O4 — CID 119742503

IUPACmethyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2(N)CC2)c(C)c1
InChIInChI=1S/C14H18N2O4/c1-9-7-10(20-8-12(17)19-2)3-4-11(9)16-13(18)14(15)5-6-14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyFKGSYXCZWOLDJM-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.98
Rot. Bonds5

About methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate

methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate (PubChem CID 119742503) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
PubChem CID119742503
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2(N)CC2)c(C)c1
InChIInChI=1S/C14H18N2O4/c1-9-7-10(20-8-12(17)19-2)3-4-11(9)16-13(18)14(15)5-6-14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyFKGSYXCZWOLDJM-UHFFFAOYSA-N
XLogP0.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(adamantane-1-carbonylamino)-3-methylphenoxy]acetate
CID 55916613
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093
methyl 2-[4-[(4-bromobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916233
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
6-[[4-(2-methoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 47062070
methyl 2-[4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetate
CID 55915988

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate (CID 119742503) is methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate is COC(=O)COc1ccc(NC(=O)C2(N)CC2)c(C)c1.
What is the InChIKey of methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate?
The InChIKey is FKGSYXCZWOLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-7-10(20-8-12(17)19-2)3-4-11(9)16-13(18)14(15)5-6-14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate?
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate is sourced from PubChem (CID 119742503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).