5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide

C8H14N4O3 — CID 176519537

IUPAC5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide
SMILESNC(=O)C(CCCNC(N)=C=O)NC=O
InChIInChI=1S/C8H14N4O3/c9-7(4-13)11-3-1-2-6(8(10)15)12-5-14/h5-6,11H,1-3,9H2,(H2,10,15)(H,12,14)
InChIKeyGFVKATXEYITYFD-UHFFFAOYSA-N
MW214.22 g/mol
LogP-2.41
Rot. Bonds8

About 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide

5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide (PubChem CID 176519537) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide.

Molecular Properties

Compound Name5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide
PubChem CID176519537
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide
SMILESNC(=O)C(CCCNC(N)=C=O)NC=O
InChIInChI=1S/C8H14N4O3/c9-7(4-13)11-3-1-2-6(8(10)15)12-5-14/h5-6,11H,1-3,9H2,(H2,10,15)(H,12,14)
InChIKeyGFVKATXEYITYFD-UHFFFAOYSA-N
XLogP-2.41
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(1-amino-2-oxoethenyl)amino]-2-oxohexan-3-yl]-3-methyl-2-(methylamino)butanamide;ethane
CID 176533097
2-formamidobutanamide
CID 55291106
2-formamido-5-[methyl(2-methylpropyl)amino]pentanamide
CID 175824375
(2S)-N-[(2S)-1-amino-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]-2-formamidoheptanamide;2-chloroprop-1-ene
CID 171065102
(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
5-amino-2-[(2-aminoacetyl)amino]-N-ethylpentanamide;6-amino-2-formamidohexanamide;ethane
CID 144733199
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
acetaldehyde;3-amino-2-formamidopropanamide;cyclohexane
CID 143839925
amino (2R)-5-amino-2-formamidopentanoate
CID 174668707
2-formamido-5-(2-oxa-5-azaspiro[3.5]nonan-5-yl)pentanamide
CID 175824302
[4-(methylamino)-5-oxopentyl]urea
CID 123241233
methyl 2-formamido-5-[(6-hydroxy-5-methylhexyl)amino]-5-oxopentanoate
CID 170956290

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide?
The IUPAC name of 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide (CID 176519537) is 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide.
What is the SMILES notation for 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide?
The canonical SMILES for 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide is NC(=O)C(CCCNC(N)=C=O)NC=O.
What is the InChIKey of 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide?
The InChIKey is GFVKATXEYITYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c9-7(4-13)11-3-1-2-6(8(10)15)12-5-14/h5-6,11H,1-3,9H2,(H2,10,15)(H,12,14).
What are the key properties of 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide?
5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide has a molecular weight of 214.22 g/mol, XLogP of -2.41, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2-oxoethenyl)amino]-2-formamidopentanamide is sourced from PubChem (CID 176519537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).