methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate

C14H18N2O4 — CID 43380125

IUPACmethyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(N)c(OC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-8(13(17)16-10-4-5-10)20-12-7-9(14(18)19-2)3-6-11(12)15/h3,6-8,10H,4-5,15H2,1-2H3,(H,16,17)
InChIKeyLQWUJZDRWVCDPD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.10
Rot. Bonds5

About methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate

methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 43380125) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID43380125
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(N)c(OC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-8(13(17)16-10-4-5-10)20-12-7-9(14(18)19-2)3-6-11(12)15/h3,6-8,10H,4-5,15H2,1-2H3,(H,16,17)
InChIKeyLQWUJZDRWVCDPD-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoate
CID 43380135
methyl 4-amino-3-(difluoromethoxy)benzoate
CID 43380209
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
methyl 4-amino-3-methoxybenzoate
CID 602411
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 7764915
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7811553
2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide
CID 113497736
2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide
CID 61269208
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194634

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate (CID 43380125) is methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(N)c(OC(C)C(=O)NC2CC2)c1.
What is the InChIKey of methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is LQWUJZDRWVCDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(13(17)16-10-4-5-10)20-12-7-9(14(18)19-2)3-6-11(12)15/h3,6-8,10H,4-5,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 43380125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).