[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate

C14H18N2O4 — CID 81413886

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OC(C)C(=O)NC1CC1
InChIInChI=1S/C14H18N2O4/c1-8(13(17)16-9-6-7-9)20-14(18)12-10(15)4-3-5-11(12)19-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyCLTIRFODKCWOLS-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.10
Rot. Bonds5

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate (PubChem CID 81413886) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate
PubChem CID81413886
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OC(C)C(=O)NC1CC1
InChIInChI=1S/C14H18N2O4/c1-8(13(17)16-9-6-7-9)20-14(18)12-10(15)4-3-5-11(12)19-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyCLTIRFODKCWOLS-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

[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 11925701
2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide
CID 113497736
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 16523519
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513592
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003
[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
CID 81414134
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-amino-6-ethoxybenzoate
CID 81396387
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate (CID 81413886) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate is COc1cccc(N)c1C(=O)OC(C)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate?
The InChIKey is CLTIRFODKCWOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(13(17)16-9-6-7-9)20-14(18)12-10(15)4-3-5-11(12)19-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate 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 [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81413886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).