N-[formamido(dihydroxy)methyl]-3-oxobutanamide

C6H10N2O5 — CID 58915805

IUPACN-[formamido(dihydroxy)methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(O)(O)NC=O
InChIInChI=1S/C6H10N2O5/c1-4(10)2-5(11)8-6(12,13)7-3-9/h3,12-13H,2H2,1H3,(H,7,9)(H,8,11)
InChIKeyVFHFNHRHTDDLAB-UHFFFAOYSA-N
MW190.15 g/mol
LogP-2.58
Rot. Bonds5

About N-[formamido(dihydroxy)methyl]-3-oxobutanamide

N-[formamido(dihydroxy)methyl]-3-oxobutanamide (PubChem CID 58915805) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is N-[formamido(dihydroxy)methyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[formamido(dihydroxy)methyl]-3-oxobutanamide
PubChem CID58915805
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC NameN-[formamido(dihydroxy)methyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(O)(O)NC=O
InChIInChI=1S/C6H10N2O5/c1-4(10)2-5(11)8-6(12,13)7-3-9/h3,12-13H,2H2,1H3,(H,7,9)(H,8,11)
InChIKeyVFHFNHRHTDDLAB-UHFFFAOYSA-N
XLogP-2.58
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-2.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[formamido(dihydroxy)methyl]-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[dihydroxy(methylamino)methyl]-N'-[dihydroxy-(3-oxobutanoylamino)methyl]propanediamide;N-[dihydroxy-(3-oxobutanoylamino)methyl]-3-oxobutanamide
CID 161437062
Lithium pentane-2,4-dione
CID 86735745
N-(1,1-dihydroxyethyl)formamide
CID 87394549
ethylidenechromium;pentane-2,4-dione
CID 175183732
N-(2-hydroxybutan-2-yl)formamide
CID 57325343
N'-[acetamido(dihydroxy)methyl]-N-(methylaminomethyl)propanediamide
CID 58721399
CID 87073525
CID 87073525
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
CID 159548628
CID 159548628
ethane;tris(pentane-2,4-dione)
CID 158826280
barium(2+);pentane-2,4-dione
CID 23298949
potassium pentane-2,4-dione
CID 19762724

Frequently Asked Questions

What is the IUPAC name of N-[formamido(dihydroxy)methyl]-3-oxobutanamide?
The IUPAC name of N-[formamido(dihydroxy)methyl]-3-oxobutanamide (CID 58915805) is N-[formamido(dihydroxy)methyl]-3-oxobutanamide.
What is the SMILES notation for N-[formamido(dihydroxy)methyl]-3-oxobutanamide?
The canonical SMILES for N-[formamido(dihydroxy)methyl]-3-oxobutanamide is CC(=O)CC(=O)NC(O)(O)NC=O.
What is the InChIKey of N-[formamido(dihydroxy)methyl]-3-oxobutanamide?
The InChIKey is VFHFNHRHTDDLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c1-4(10)2-5(11)8-6(12,13)7-3-9/h3,12-13H,2H2,1H3,(H,7,9)(H,8,11).
What are the key properties of N-[formamido(dihydroxy)methyl]-3-oxobutanamide?
N-[formamido(dihydroxy)methyl]-3-oxobutanamide has a molecular weight of 190.15 g/mol, XLogP of -2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[formamido(dihydroxy)methyl]-3-oxobutanamide is sourced from PubChem (CID 58915805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).