N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide

C13H21N3O2 — CID 112748853

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NCC1(CN)CC1
InChIInChI=1S/C13H21N3O2/c1-18-8-7-16-6-2-3-11(16)12(17)15-10-13(9-14)4-5-13/h2-3,6H,4-5,7-10,14H2,1H3,(H,15,17)
InChIKeyOLVUZBGZWOLMOU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.60
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 112748853) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID112748853
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NCC1(CN)CC1
InChIInChI=1S/C13H21N3O2/c1-18-8-7-16-6-2-3-11(16)12(17)15-10-13(9-14)4-5-13/h2-3,6H,4-5,7-10,14H2,1H3,(H,15,17)
InChIKeyOLVUZBGZWOLMOU-UHFFFAOYSA-N
XLogP0.60
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609728
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693607
1-(2-methoxyethyl)-N-(4-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 114696201
N-(3-ethyl-2-hydroxypentyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 106287615
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
CID 103968979
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610220

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 112748853) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)NCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is OLVUZBGZWOLMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-8-7-16-6-2-3-11(16)12(17)15-10-13(9-14)4-5-13/h2-3,6H,4-5,7-10,14H2,1H3,(H,15,17).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 112748853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).