2-(2-pyrrolidin-1-ylethylamino)acetamide

C8H17N3O — CID 60673194

IUPAC2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESNC(=O)CNCCN1CCCC1
InChIInChI=1S/C8H17N3O/c9-8(12)7-10-3-6-11-4-1-2-5-11/h10H,1-7H2,(H2,9,12)
InChIKeyAEQNHUYTQIKCBS-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.84
Rot. Bonds5

About 2-(2-pyrrolidin-1-ylethylamino)acetamide

2-(2-pyrrolidin-1-ylethylamino)acetamide (PubChem CID 60673194) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylamino)acetamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylamino)acetamide
PubChem CID60673194
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESNC(=O)CNCCN1CCCC1
InChIInChI=1S/C8H17N3O/c9-8(12)7-10-3-6-11-4-1-2-5-11/h10H,1-7H2,(H2,9,12)
InChIKeyAEQNHUYTQIKCBS-UHFFFAOYSA-N
XLogP-0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperidin-1-ylethylamino)acetamide
CID 60695664
N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide
CID 77031116
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
N,N-dicyclohexyl-2-(2-piperidin-1-ylethylamino)acetamide
CID 67746921
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 46318531
11-pyrrolidin-1-ylundecanamide
CID 175975624
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)acetamide?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)acetamide (CID 60673194) is 2-(2-pyrrolidin-1-ylethylamino)acetamide.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylamino)acetamide?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylamino)acetamide is NC(=O)CNCCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylamino)acetamide?
The InChIKey is AEQNHUYTQIKCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(12)7-10-3-6-11-4-1-2-5-11/h10H,1-7H2,(H2,9,12).
What are the key properties of 2-(2-pyrrolidin-1-ylethylamino)acetamide?
2-(2-pyrrolidin-1-ylethylamino)acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylamino)acetamide is sourced from PubChem (CID 60673194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).