2-formamidopropanediamide

C4H7N3O3 — CID 4202843

IUPAC2-formamidopropanediamide
SMILESNC(=O)C(NC=O)C(N)=O
InChIInChI=1S/C4H7N3O3/c5-3(9)2(4(6)10)7-1-8/h1-2H,(H2,5,9)(H2,6,10)(H,7,8)
InChIKeyBHJTZDKKGGJCIK-UHFFFAOYSA-N
MW145.12 g/mol
LogP-2.93
Rot. Bonds4

About 2-formamidopropanediamide

2-formamidopropanediamide (PubChem CID 4202843) has the molecular formula C4H7N3O3 and a molecular weight of 145.12 g/mol. Its IUPAC name is 2-formamidopropanediamide.

Molecular Properties

Compound Name2-formamidopropanediamide
PubChem CID4202843
Molecular FormulaC4H7N3O3
Molecular Weight145.12 g/mol
Exact Mass145.05
IUPAC Name2-formamidopropanediamide
SMILESNC(=O)C(NC=O)C(N)=O
InChIInChI=1S/C4H7N3O3/c5-3(9)2(4(6)10)7-1-8/h1-2H,(H2,5,9)(H2,6,10)(H,7,8)
InChIKeyBHJTZDKKGGJCIK-UHFFFAOYSA-N
XLogP-2.93
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 5-2.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(Methylamino)propanediamide
CID 12682554
N~2~-Formyl-L-alaninamide
CID 55290538
2-(Carbamoylamino)propanediamide
CID 91601905
3-Amino-2-formamido-3-sulfanylidenepropanamide
CID 85844107
2-Acetamidopropanediamide
CID 252899
2-formamido-N-methylpropanamide
CID 14245852
(2S)-2-formamido-N-methylpropanamide
CID 14245853
N,N'-dimethyl-2-(methylamino)propanediamide
CID 20713114
2-Formamidopropanamide
CID 23165967
N-(2-oxoazetidin-3-yl)formamide
CID 53976445
2-Cyano-2-formamidoacetamide
CID 54113375
N-[(3S)-2-oxoazetidin-3-yl]formamide
CID 57068270

Frequently Asked Questions

What is the IUPAC name of 2-formamidopropanediamide?
The IUPAC name of 2-formamidopropanediamide (CID 4202843) is 2-formamidopropanediamide.
What is the SMILES notation for 2-formamidopropanediamide?
The canonical SMILES for 2-formamidopropanediamide is NC(=O)C(NC=O)C(N)=O.
What is the InChIKey of 2-formamidopropanediamide?
The InChIKey is BHJTZDKKGGJCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O3/c5-3(9)2(4(6)10)7-1-8/h1-2H,(H2,5,9)(H2,6,10)(H,7,8).
What are the key properties of 2-formamidopropanediamide?
2-formamidopropanediamide has a molecular weight of 145.12 g/mol, XLogP of -2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidopropanediamide is sourced from PubChem (CID 4202843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).