N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide

C10H19N3O2 — CID 54072244

IUPACN-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCC1CCN(C=O)C1
InChIInChI=1S/C10H19N3O2/c1-8(11-2)10(15)12-5-9-3-4-13(6-9)7-14/h7-9,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyMHGKPUGJXJYXNE-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.81
Rot. Bonds5

About N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide

N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide (PubChem CID 54072244) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide
PubChem CID54072244
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCC1CCN(C=O)C1
InChIInChI=1S/C10H19N3O2/c1-8(11-2)10(15)12-5-9-3-4-13(6-9)7-14/h7-9,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyMHGKPUGJXJYXNE-UHFFFAOYSA-N
XLogP-0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide?
The IUPAC name of N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide (CID 54072244) is N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide is CNC(C)C(=O)NCC1CCN(C=O)C1.
What is the InChIKey of N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide?
The InChIKey is MHGKPUGJXJYXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(11-2)10(15)12-5-9-3-4-13(6-9)7-14/h7-9,11H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide?
N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide has a molecular weight of 213.28 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-formylpyrrolidin-3-yl)methyl]-2-(methylamino)propanamide is sourced from PubChem (CID 54072244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).