3-(3-pyrrolidin-1-ylpropylamino)propanamide

C10H21N3O — CID 60669793

IUPAC3-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESNC(=O)CCNCCCN1CCCC1
InChIInChI=1S/C10H21N3O/c11-10(14)4-6-12-5-3-9-13-7-1-2-8-13/h12H,1-9H2,(H2,11,14)
InChIKeyWSQNBTVTAFKZQB-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds7

About 3-(3-pyrrolidin-1-ylpropylamino)propanamide

3-(3-pyrrolidin-1-ylpropylamino)propanamide (PubChem CID 60669793) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpropylamino)propanamide.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpropylamino)propanamide
PubChem CID60669793
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESNC(=O)CCNCCCN1CCCC1
InChIInChI=1S/C10H21N3O/c11-10(14)4-6-12-5-3-9-13-7-1-2-8-13/h12H,1-9H2,(H2,11,14)
InChIKeyWSQNBTVTAFKZQB-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
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-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078
11-pyrrolidin-1-ylundecanamide
CID 175975624
3-(4-pyrrolidin-1-ylbutylamino)propanoic acid
CID 82316559
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325237
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
4-(3-pyrrolidin-1-ylpropoxy)butanamide
CID 166535880
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
CID 112673893
2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60673194
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
2-(2-piperidin-1-ylethylamino)acetamide
CID 60695664

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpropylamino)propanamide?
The IUPAC name of 3-(3-pyrrolidin-1-ylpropylamino)propanamide (CID 60669793) is 3-(3-pyrrolidin-1-ylpropylamino)propanamide.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpropylamino)propanamide?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpropylamino)propanamide is NC(=O)CCNCCCN1CCCC1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpropylamino)propanamide?
The InChIKey is WSQNBTVTAFKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-10(14)4-6-12-5-3-9-13-7-1-2-8-13/h12H,1-9H2,(H2,11,14).
What are the key properties of 3-(3-pyrrolidin-1-ylpropylamino)propanamide?
3-(3-pyrrolidin-1-ylpropylamino)propanamide has a molecular weight of 199.30 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpropylamino)propanamide is sourced from PubChem (CID 60669793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).