2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid

C10H19N3O4 — CID 80541843

IUPAC2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
SMILESCNC(=O)CCNC(=O)NCCC(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(9(15)16)3-5-12-10(17)13-6-4-8(14)11-2/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyDILZYPKKKWGEJZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.47
Rot. Bonds7

About 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid

2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid (PubChem CID 80541843) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
PubChem CID80541843
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
SMILESCNC(=O)CCNC(=O)NCCC(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(9(15)16)3-5-12-10(17)13-6-4-8(14)11-2/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyDILZYPKKKWGEJZ-UHFFFAOYSA-N
XLogP-0.47
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]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

Related Compounds

4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555
2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
CID 65222904
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 66165318
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
4-[2-(dimethylamino)propylcarbamoylamino]-2-methylbutanoic acid
CID 80541974
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 104829285
2-methyl-4-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 80540549
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
4-(methoxycarbonylamino)-2-methylbutanoic acid
CID 80540364
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid (CID 80541843) is 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid is CNC(=O)CCNC(=O)NCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
The InChIKey is DILZYPKKKWGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(9(15)16)3-5-12-10(17)13-6-4-8(14)11-2/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid?
2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 80541843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).