3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C13H21N3O2 — CID 114526441

IUPAC3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCN(C)CCCOC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3O2/c1-15(2)6-3-7-18-13(17)12-8-10(14)9-16(12)11-4-5-11/h8-9,11H,3-7,14H2,1-2H3
InChIKeyGBUNROQDMFERAB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds6

About 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 114526441) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID114526441
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCN(C)CCCOC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3O2/c1-15(2)6-3-7-18-13(17)12-8-10(14)9-16(12)11-4-5-11/h8-9,11H,3-7,14H2,1-2H3
InChIKeyGBUNROQDMFERAB-UHFFFAOYSA-N
XLogP1.51
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65180401
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
(5-cyano-5-methylhexyl) 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 106713730
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
2-phenylsulfanylethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 79228438
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
CID 113475372
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 103137013
4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 61108907

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 114526441) is 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is CN(C)CCCOC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is GBUNROQDMFERAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15(2)6-3-7-18-13(17)12-8-10(14)9-16(12)11-4-5-11/h8-9,11H,3-7,14H2,1-2H3.
What are the key properties of 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 114526441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).