4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide

C11H20N4O3 — CID 79401001

IUPAC4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
SMILESNCC(=O)NCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H20N4O3/c12-6-10(17)14-7-11(18)13-5-1-2-9(16)15-8-3-4-8/h8H,1-7,12H2,(H,13,18)(H,14,17)(H,15,16)
InChIKeyZOYRSWARIDAAON-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.76
Rot. Bonds8

About 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide

4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide (PubChem CID 79401001) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
PubChem CID79401001
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
SMILESNCC(=O)NCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C11H20N4O3/c12-6-10(17)14-7-11(18)13-5-1-2-9(16)15-8-3-4-8/h8H,1-7,12H2,(H,13,18)(H,14,17)(H,15,16)
InChIKeyZOYRSWARIDAAON-UHFFFAOYSA-N
XLogP-1.76
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide (CID 79401001) is 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide is NCC(=O)NCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide?
The InChIKey is ZOYRSWARIDAAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c12-6-10(17)14-7-11(18)13-5-1-2-9(16)15-8-3-4-8/h8H,1-7,12H2,(H,13,18)(H,14,17)(H,15,16).
What are the key properties of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide?
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide has a molecular weight of 256.31 g/mol, XLogP of -1.76, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79401001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).