3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide

C10H17N3O2 — CID 106171023

IUPAC3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
SMILESCCn1ccc(CNCC(O)C(N)=O)c1
InChIInChI=1S/C10H17N3O2/c1-2-13-4-3-8(7-13)5-12-6-9(14)10(11)15/h3-4,7,9,12,14H,2,5-6H2,1H3,(H2,11,15)
InChIKeyZOFQZRUDNHVBFW-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.56
Rot. Bonds6

About 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide

3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide (PubChem CID 106171023) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
PubChem CID106171023
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
SMILESCCn1ccc(CNCC(O)C(N)=O)c1
InChIInChI=1S/C10H17N3O2/c1-2-13-4-3-8(7-13)5-12-6-9(14)10(11)15/h3-4,7,9,12,14H,2,5-6H2,1H3,(H2,11,15)
InChIKeyZOFQZRUDNHVBFW-UHFFFAOYSA-N
XLogP-0.56
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
CID 83109384
2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66404402
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 66397768
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
CID 106170747
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 106170579
4-[(1-ethylpyrrol-3-yl)methylamino]butanoic acid
CID 66413985
2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 106171308
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215
6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
CID 103270570

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide (CID 106171023) is 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide is CCn1ccc(CNCC(O)C(N)=O)c1.
What is the InChIKey of 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide?
The InChIKey is ZOFQZRUDNHVBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-13-4-3-8(7-13)5-12-6-9(14)10(11)15/h3-4,7,9,12,14H,2,5-6H2,1H3,(H2,11,15).
What are the key properties of 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide?
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide has a molecular weight of 211.27 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).