4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid

C9H17N3O4 — CID 43310695

IUPAC4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
SMILESCNC(=O)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-10-7(13)6-11-9(16)12(2)5-3-4-8(14)15/h3-6H2,1-2H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyLMMLHHNDAKCKJQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.76
Rot. Bonds6

About 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid

4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid (PubChem CID 43310695) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
PubChem CID43310695
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
SMILESCNC(=O)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-10-7(13)6-11-9(16)12(2)5-3-4-8(14)15/h3-6H2,1-2H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyLMMLHHNDAKCKJQ-UHFFFAOYSA-N
XLogP-0.76
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid (CID 43310695) is 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid is CNC(=O)CNC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
The InChIKey is LMMLHHNDAKCKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-10-7(13)6-11-9(16)12(2)5-3-4-8(14)15/h3-6H2,1-2H3,(H,10,13)(H,11,16)(H,14,15).
What are the key properties of 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 43310695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).