4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide

C10H19N3O2 — CID 79394455

IUPAC4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
SMILESNC(=O)CCNCCCC(=O)NC1CC1
InChIInChI=1S/C10H19N3O2/c11-9(14)5-7-12-6-1-2-10(15)13-8-3-4-8/h8,12H,1-7H2,(H2,11,14)(H,13,15)
InChIKeyXPRONIRTYDGXTH-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.49
Rot. Bonds8

About 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide

4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide (PubChem CID 79394455) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
PubChem CID79394455
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
SMILESNC(=O)CCNCCCC(=O)NC1CC1
InChIInChI=1S/C10H19N3O2/c11-9(14)5-7-12-6-1-2-10(15)13-8-3-4-8/h8,12H,1-7H2,(H2,11,14)(H,13,15)
InChIKeyXPRONIRTYDGXTH-UHFFFAOYSA-N
XLogP-0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.49
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

N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N,N'-dicyclopropyldecanediamide
CID 4668836
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
CID 79393786
4-[[(E)-4-chlorobut-2-enyl]amino]-N-cyclopropylbutanamide
CID 81429288

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide (CID 79394455) is 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide is NC(=O)CCNCCCC(=O)NC1CC1.
What is the InChIKey of 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide?
The InChIKey is XPRONIRTYDGXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-9(14)5-7-12-6-1-2-10(15)13-8-3-4-8/h8,12H,1-7H2,(H2,11,14)(H,13,15).
What are the key properties of 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide?
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide has a molecular weight of 213.28 g/mol, XLogP of -0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79394455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).