3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide

C10H17N3O3 — CID 59009650

IUPAC3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide
SMILESNCC(=O)NC(CC1CCC1)C(=O)C(N)=O
InChIInChI=1S/C10H17N3O3/c11-5-8(14)13-7(9(15)10(12)16)4-6-2-1-3-6/h6-7H,1-5,11H2,(H2,12,16)(H,13,14)
InChIKeyNVJXLCSJZCSTPU-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.33
Rot. Bonds6

About 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide

3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide (PubChem CID 59009650) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide
PubChem CID59009650
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide
SMILESNCC(=O)NC(CC1CCC1)C(=O)C(N)=O
InChIInChI=1S/C10H17N3O3/c11-5-8(14)13-7(9(15)10(12)16)4-6-2-1-3-6/h6-7H,1-5,11H2,(H2,12,16)(H,13,14)
InChIKeyNVJXLCSJZCSTPU-UHFFFAOYSA-N
XLogP-1.33
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide?
The IUPAC name of 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide (CID 59009650) is 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide is NCC(=O)NC(CC1CCC1)C(=O)C(N)=O.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide?
The InChIKey is NVJXLCSJZCSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-5-8(14)13-7(9(15)10(12)16)4-6-2-1-3-6/h6-7H,1-5,11H2,(H2,12,16)(H,13,14).
What are the key properties of 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide?
3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide has a molecular weight of 227.26 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-4-cyclobutyl-2-oxobutanamide is sourced from PubChem (CID 59009650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).