N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide

C8H15N3O2 — CID 167000280

IUPACN-(5-imino-4-oxopentyl)-2-(methylamino)acetamide
SMILES[H]/N=C/C(=O)CCCNC(=O)CNC
InChIInChI=1S/C8H15N3O2/c1-10-6-8(13)11-4-2-3-7(12)5-9/h5,9-10H,2-4,6H2,1H3,(H,11,13)/b9-5+
InChIKeyOVUIFSPPCUWPDT-WEVVVXLNSA-N
MW185.23 g/mol
LogP-0.68
Rot. Bonds7

About N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide

N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide (PubChem CID 167000280) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(5-imino-4-oxopentyl)-2-(methylamino)acetamide
PubChem CID167000280
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(5-imino-4-oxopentyl)-2-(methylamino)acetamide
SMILES[H]/N=C/C(=O)CCCNC(=O)CNC
InChIInChI=1S/C8H15N3O2/c1-10-6-8(13)11-4-2-3-7(12)5-9/h5,9-10H,2-4,6H2,1H3,(H,11,13)/b9-5+
InChIKeyOVUIFSPPCUWPDT-WEVVVXLNSA-N
XLogP-0.68
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5-imino-4-oxopentyl)urea
CID 90786358
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
CID 56832092
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
N-(3-ethenoxypropyl)-2-(methylamino)acetamide
CID 61274455
N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
CID 119738705
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
2-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919

Frequently Asked Questions

What is the IUPAC name of N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide?
The IUPAC name of N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide (CID 167000280) is N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide is [H]/N=C/C(=O)CCCNC(=O)CNC.
What is the InChIKey of N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide?
The InChIKey is OVUIFSPPCUWPDT-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-10-6-8(13)11-4-2-3-7(12)5-9/h5,9-10H,2-4,6H2,1H3,(H,11,13)/b9-5+.
What are the key properties of N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide?
N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide has a molecular weight of 185.23 g/mol, XLogP of -0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide is sourced from PubChem (CID 167000280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).