[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate

C14H23N3O4 — CID 61314358

IUPAC[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OC(C)C(=O)NCCOC
InChIInChI=1S/C14H23N3O4/c1-4-6-17-9-11(15)8-12(17)14(19)21-10(2)13(18)16-5-7-20-3/h8-10H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyBSQBYZNPCGGMGT-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.79
Rot. Bonds8

About [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate

[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate (PubChem CID 61314358) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
PubChem CID61314358
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(N)cc1C(=O)OC(C)C(=O)NCCOC
InChIInChI=1S/C14H23N3O4/c1-4-6-17-9-11(15)8-12(17)14(19)21-10(2)13(18)16-5-7-20-3/h8-10H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyBSQBYZNPCGGMGT-UHFFFAOYSA-N
XLogP0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61314727
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-1-methylpyrrole-2-carboxylate
CID 61323051
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,5-diaminobenzoate
CID 61322933
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139
1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate
CID 103489505
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106180191
butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322293
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate
CID 61484775

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate?
The IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate (CID 61314358) is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate?
The canonical SMILES for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate is CCCn1cc(N)cc1C(=O)OC(C)C(=O)NCCOC.
What is the InChIKey of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate?
The InChIKey is BSQBYZNPCGGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-6-17-9-11(15)8-12(17)14(19)21-10(2)13(18)16-5-7-20-3/h8-10H,4-7,15H2,1-3H3,(H,16,18).
What are the key properties of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate?
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 61314358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).