methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate

C12H17N3O4 — CID 104774354

IUPACmethyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H17N3O4/c1-14-6-8(13)5-9(14)11(16)15-3-4-19-7-10(15)12(17)18-2/h5-6,10H,3-4,7,13H2,1-2H3
InChIKeyAWTCVPNDAUXOEU-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.38
Rot. Bonds2

About methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate

methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate (PubChem CID 104774354) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate
PubChem CID104774354
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H17N3O4/c1-14-6-8(13)5-9(14)11(16)15-3-4-19-7-10(15)12(17)18-2/h5-6,10H,3-4,7,13H2,1-2H3
InChIKeyAWTCVPNDAUXOEU-UHFFFAOYSA-N
XLogP-0.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-1-methylpyrrole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099533
(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 43644113
methyl 4-(3-amino-5-bromobenzoyl)morpholine-3-carboxylate
CID 104774362
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
methyl 4-(3-amino-4-bromobenzoyl)morpholine-3-carboxylate
CID 104774410
methyl 4-(4-chloro-2,5-difluorobenzoyl)morpholine-3-carboxylate
CID 115868973
methyl 4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylate
CID 115670141
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421
methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 115869308

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate (CID 104774354) is methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1cc(N)cn1C.
What is the InChIKey of methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate?
The InChIKey is AWTCVPNDAUXOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14-6-8(13)5-9(14)11(16)15-3-4-19-7-10(15)12(17)18-2/h5-6,10H,3-4,7,13H2,1-2H3.
What are the key properties of methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate?
methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).