methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate

C11H15N3O4 — CID 83203952

IUPACmethyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate
SMILESCOC(=O)c1cc(N)ccc1NCCOC(N)=O
InChIInChI=1S/C11H15N3O4/c1-17-10(15)8-6-7(12)2-3-9(8)14-4-5-18-11(13)16/h2-3,6,14H,4-5,12H2,1H3,(H2,13,16)
InChIKeyRPTYXGWKYFJNBB-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.56
Rot. Bonds5

About methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate

methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate (PubChem CID 83203952) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate
PubChem CID83203952
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate
SMILESCOC(=O)c1cc(N)ccc1NCCOC(N)=O
InChIInChI=1S/C11H15N3O4/c1-17-10(15)8-6-7(12)2-3-9(8)14-4-5-18-11(13)16/h2-3,6,14H,4-5,12H2,1H3,(H2,13,16)
InChIKeyRPTYXGWKYFJNBB-UHFFFAOYSA-N
XLogP0.56
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
CID 83203951
methyl 4-(2-carbamoyloxyethylamino)-2,3-difluorobenzoate
CID 83205058
methyl 5-amino-2-[2-(dimethylcarbamoylamino)ethylamino]benzoate
CID 83115661
methyl 5-amino-2-[2-(methylsulfamoyl)ethylamino]benzoate
CID 106341902
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
methyl 5-amino-2-(2-methylpropylamino)benzoate
CID 61312657
methyl 5-amino-2-[3-(methanesulfonamido)propylamino]benzoate
CID 106341818
methyl 5-amino-2-(2-methylbutan-2-ylamino)benzoate
CID 61312271
propyl 5-amino-2-(propylamino)benzoate
CID 100638070
methyl 5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]benzoate
CID 79395347
methyl 5-amino-2-(2-thiomorpholin-4-ylethylamino)benzoate
CID 106326870
methyl 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzoate
CID 114516560

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate?
The IUPAC name of methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate (CID 83203952) is methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate.
What is the SMILES notation for methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate?
The canonical SMILES for methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate is COC(=O)c1cc(N)ccc1NCCOC(N)=O.
What is the InChIKey of methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate?
The InChIKey is RPTYXGWKYFJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-10(15)8-6-7(12)2-3-9(8)14-4-5-18-11(13)16/h2-3,6,14H,4-5,12H2,1H3,(H2,13,16).
What are the key properties of methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate?
methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate has a molecular weight of 253.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate is sourced from PubChem (CID 83203952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).