2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide

C12H20N4O5 — CID 178034065

IUPAC2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide
SMILESCC(C)C(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC=O
InChIInChI=1S/C12H20N4O5/c1-7(2)9(18)4-15-12(21)8(3-10(13)19)16-11(20)5-14-6-17/h6-8H,3-5H2,1-2H3,(H2,13,19)(H,14,17)(H,15,21)(H,16,20)
InChIKeyQKNNGYZHYNMRLW-UHFFFAOYSA-N
MW300.32 g/mol
LogP-2.57
Rot. Bonds10

About 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide

2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide (PubChem CID 178034065) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide.

Molecular Properties

Compound Name2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide
PubChem CID178034065
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide
SMILESCC(C)C(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC=O
InChIInChI=1S/C12H20N4O5/c1-7(2)9(18)4-15-12(21)8(3-10(13)19)16-11(20)5-14-6-17/h6-8H,3-5H2,1-2H3,(H2,13,19)(H,14,17)(H,15,21)(H,16,20)
InChIKeyQKNNGYZHYNMRLW-UHFFFAOYSA-N
XLogP-2.57
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide 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

(S)-2-{(S)-2-[(S)-2-(2-Acetylamino-ethanoylamino)-3-methyl-butanoylamino]-3-methyl-butanoylamino}-N1-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide
CID 10007782
(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-(1-methyl-2-methylcarbamoyl-2-oxo-ethyl)-succinamide
CID 10696204
(S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-butanoylamino]-N4,N4-dimethyl-N1-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide
CID 10768371
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-N-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)butanediamide
CID 10791371
(S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-butanoylamino]-N1-(1-ethyl-3,3,3-trifluoro-2-oxo-propyl)-succinamide
CID 11799831
(S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-butanoylamino]-N4,N4-dimethyl-N1-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide
CID 11799832
(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N1-(2-dimethylcarbamoyl-1-methyl-2-oxo-ethyl)-N4,N4-dimethyl-succinamide
CID 10625117
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-N1-((S)-3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide
CID 10644432
(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-N-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)butanediamide
CID 10692120
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-N1-((R)-3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide
CID 10810736
2-(2-Hydroxyaminomethyl-3-methyl-butyrylamino)-succinamide
CID 44307681
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-N-[(2S)-4-(tert-butylamino)-3,4-dioxobutan-2-yl]butanediamide
CID 132819903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide?
The IUPAC name of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide (CID 178034065) is 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide.
What is the SMILES notation for 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide?
The canonical SMILES for 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide is CC(C)C(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC=O.
What is the InChIKey of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide?
The InChIKey is QKNNGYZHYNMRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5/c1-7(2)9(18)4-15-12(21)8(3-10(13)19)16-11(20)5-14-6-17/h6-8H,3-5H2,1-2H3,(H2,13,19)(H,14,17)(H,15,21)(H,16,20).
What are the key properties of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide?
2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide has a molecular weight of 300.32 g/mol, XLogP of -2.57, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide is sourced from PubChem (CID 178034065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).