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

C14H18N2O4 — CID 119787093

IUPACmethyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H18N2O4/c1-19-12(17)9-20-11-4-2-3-10(7-11)8-16-13(18)14(15)5-6-14/h2-4,7H,5-6,8-9,15H2,1H3,(H,16,18)
InChIKeySMSBOSRLMAYPKQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.35
Rot. Bonds6

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

methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate (PubChem CID 119787093) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
PubChem CID119787093
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H18N2O4/c1-19-12(17)9-20-11-4-2-3-10(7-11)8-16-13(18)14(15)5-6-14/h2-4,7H,5-6,8-9,15H2,1H3,(H,16,18)
InChIKeySMSBOSRLMAYPKQ-UHFFFAOYSA-N
XLogP0.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 119787116
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenoxy]acetate
CID 54144555
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate (CID 119787093) is methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate is COC(=O)COc1cccc(CNC(=O)C2(N)CC2)c1.
What is the InChIKey of methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate?
The InChIKey is SMSBOSRLMAYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-12(17)9-20-11-4-2-3-10(7-11)8-16-13(18)14(15)5-6-14/h2-4,7H,5-6,8-9,15H2,1H3,(H,16,18).
What are the key properties of methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate?
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate is sourced from PubChem (CID 119787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).