2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

C12H19N3O4 — CID 79241738

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1noc(C)c1CNC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-7-9(8(2)19-14-7)6-13-11(18)15(5)12(3,4)10(16)17/h6H2,1-5H3,(H,13,18)(H,16,17)
InChIKeySPODOUMLQFGGNX-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.30
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 79241738) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID79241738
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1noc(C)c1CNC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-7-9(8(2)19-14-7)6-13-11(18)15(5)12(3,4)10(16)17/h6H2,1-5H3,(H,13,18)(H,16,17)
InChIKeySPODOUMLQFGGNX-UHFFFAOYSA-N
XLogP1.30
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 115604567
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241574
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 79242130
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 79242053
3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 79241978
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 47862151
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981692
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 47863150
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylacetamide
CID 43214592
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 79241738) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is Cc1noc(C)c1CNC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is SPODOUMLQFGGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-9(8(2)19-14-7)6-13-11(18)15(5)12(3,4)10(16)17/h6H2,1-5H3,(H,13,18)(H,16,17).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79241738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).