3-[(3-amino-3-oxopropyl)amino]propanamide

C6H13N3O2 — CID 11024668

IUPAC3-[(3-amino-3-oxopropyl)amino]propanamide
SMILESNC(=O)CCNCCC(N)=O
InChIInChI=1S/C6H13N3O2/c7-5(10)1-3-9-4-2-6(8)11/h9H,1-4H2,(H2,7,10)(H2,8,11)
InChIKeyFQPPZICITUBAOY-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.67
Rot. Bonds6

About 3-[(3-amino-3-oxopropyl)amino]propanamide

3-[(3-amino-3-oxopropyl)amino]propanamide (PubChem CID 11024668) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)amino]propanamide
PubChem CID11024668
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name3-[(3-amino-3-oxopropyl)amino]propanamide
SMILESNC(=O)CCNCCC(N)=O
InChIInChI=1S/C6H13N3O2/c7-5(10)1-3-9-4-2-6(8)11/h9H,1-4H2,(H2,7,10)(H2,8,11)
InChIKeyFQPPZICITUBAOY-UHFFFAOYSA-N
XLogP-1.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-N-methylpropanamide
CID 14889074
N-methyl-3-(methylamino)propanamide
CID 12548977
N,N'-Dimethylmalonamide
CID 192755
N-(3-acetamidopropyl)acetamide
CID 5147555
N~3~-Methyl-beta-alaninamide
CID 22182162
3-amino-N-methylpropanamide hydrochloride
CID 14889075
3-[3-(Dimethylamino)propylamino]propanamide
CID 3097430
N,N'-bis(2-carbamoylethyl)ethylenediamine
CID 23422453
N-(2-(dimethylcarbamoyl)ethyl)-N-methyl-3-(methylamino)propanamide
CID 155943543
N,N'-bis(2-carbamoylethyl)trimethylenedi-amine
CID 23422454
4-Methyl-4,8-diazaundecanediamide
CID 85559020
N,N'-diethylpropanediamide
CID 4600245

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)amino]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)amino]propanamide (CID 11024668) is 3-[(3-amino-3-oxopropyl)amino]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)amino]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)amino]propanamide is NC(=O)CCNCCC(N)=O.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)amino]propanamide?
The InChIKey is FQPPZICITUBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-5(10)1-3-9-4-2-6(8)11/h9H,1-4H2,(H2,7,10)(H2,8,11).
What are the key properties of 3-[(3-amino-3-oxopropyl)amino]propanamide?
3-[(3-amino-3-oxopropyl)amino]propanamide has a molecular weight of 159.19 g/mol, XLogP of -1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)amino]propanamide is sourced from PubChem (CID 11024668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).