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

C13H21N3O4 — CID 106374565

IUPAC2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCc1cnc(CNC(=O)NC(C)(C)C(C)(C)C(=O)O)o1
InChIInChI=1S/C13H21N3O4/c1-8-6-14-9(20-8)7-15-11(19)16-13(4,5)12(2,3)10(17)18/h6H,7H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyYDRGWDBGHJYIOX-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.67
Rot. Bonds5

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

2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 106374565) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID106374565
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCc1cnc(CNC(=O)NC(C)(C)C(C)(C)C(=O)O)o1
InChIInChI=1S/C13H21N3O4/c1-8-6-14-9(20-8)7-15-11(19)16-13(4,5)12(2,3)10(17)18/h6H,7H2,1-5H3,(H,17,18)(H2,15,16,19)
InChIKeyYDRGWDBGHJYIOX-UHFFFAOYSA-N
XLogP1.67
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 106374605
2-(tert-butylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 103726080
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
CID 106375343
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid (CID 106374565) is 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid is Cc1cnc(CNC(=O)NC(C)(C)C(C)(C)C(=O)O)o1.
What is the InChIKey of 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is YDRGWDBGHJYIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8-6-14-9(20-8)7-15-11(19)16-13(4,5)12(2,3)10(17)18/h6H,7H2,1-5H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid?
2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106374565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).