2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid

C10H15N3O4 — CID 106374475

IUPAC2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
SMILESCc1cnc(CNC(=O)NCC(C)C(=O)O)o1
InChIInChI=1S/C10H15N3O4/c1-6(9(14)15)3-12-10(16)13-5-8-11-4-7(2)17-8/h4,6H,3,5H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyAUDFOQUYPQQTBT-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.50
Rot. Bonds5

About 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid

2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid (PubChem CID 106374475) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
PubChem CID106374475
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
SMILESCc1cnc(CNC(=O)NCC(C)C(=O)O)o1
InChIInChI=1S/C10H15N3O4/c1-6(9(14)15)3-12-10(16)13-5-8-11-4-7(2)17-8/h4,6H,3,5H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyAUDFOQUYPQQTBT-UHFFFAOYSA-N
XLogP0.50
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic 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

5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
CID 106374847
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
3-methoxy-4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114180678
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanedioic acid
CID 106374611
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid
CID 106371994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid (CID 106374475) is 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid is Cc1cnc(CNC(=O)NCC(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is AUDFOQUYPQQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(9(14)15)3-12-10(16)13-5-8-11-4-7(2)17-8/h4,6H,3,5H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid?
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106374475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).