2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide

C10H19N3O3 — CID 58964008

IUPAC2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide
SMILESCCC(NC(=O)C(CC(N)=O)NC)C(C)=O
InChIInChI=1S/C10H19N3O3/c1-4-7(6(2)14)13-10(16)8(12-3)5-9(11)15/h7-8,12H,4-5H2,1-3H3,(H2,11,15)(H,13,16)
InChIKeyUADHGBPTSSQOJG-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.07
Rot. Bonds7

About 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide

2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide (PubChem CID 58964008) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide
PubChem CID58964008
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide
SMILESCCC(NC(=O)C(CC(N)=O)NC)C(C)=O
InChIInChI=1S/C10H19N3O3/c1-4-7(6(2)14)13-10(16)8(12-3)5-9(11)15/h7-8,12H,4-5H2,1-3H3,(H2,11,15)(H,13,16)
InChIKeyUADHGBPTSSQOJG-UHFFFAOYSA-N
XLogP-1.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-N-(2-oxopentan-3-yl)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

(3R)-3-acetamido-4-oxopentanamide
CID 58664367
(2S)-4-amino-2-(methylamino)-4-oxobutanethioic S-acid
CID 90274310
2-(methylamino)-N-(5-methylhexyl)butanediamide
CID 146635024
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
sodium 4-[[1-(ethylamino)-1,4-dioxopentan-3-yl]amino]-3-(methylamino)-4-oxobutanoate
CID 59476583
N-[1-(4,5-dihydro-1H-indol-3-yl)-3-oxobutan-2-yl]-2-(methylamino)butanediamide
CID 70961527
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
N-methyl-2-[2-[2-(methylamino)propanoylamino]propanoylamino]butanediamide
CID 142463784

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide?
The IUPAC name of 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide (CID 58964008) is 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide.
What is the SMILES notation for 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide?
The canonical SMILES for 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide is CCC(NC(=O)C(CC(N)=O)NC)C(C)=O.
What is the InChIKey of 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide?
The InChIKey is UADHGBPTSSQOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-4-7(6(2)14)13-10(16)8(12-3)5-9(11)15/h7-8,12H,4-5H2,1-3H3,(H2,11,15)(H,13,16).
What are the key properties of 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide?
2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide has a molecular weight of 229.28 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide is sourced from PubChem (CID 58964008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).