2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid

C12H19N3O4 — CID 106374605

IUPAC2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCc1ncc(C)o1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-5-15(12(3,4)10(16)17)11(18)14-7-9-13-6-8(2)19-9/h6H,5,7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWAKVLEYBXYAURS-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.38
Rot. Bonds5

About 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 106374605) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID106374605
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCc1ncc(C)o1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-5-15(12(3,4)10(16)17)11(18)14-7-9-13-6-8(2)19-9/h6H,5,7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWAKVLEYBXYAURS-UHFFFAOYSA-N
XLogP1.38
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114128699
2-[carboxymethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 114180679
2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374565
3-[cyclopropyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106374477
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-(tert-butylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 103726080
2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 114184442
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
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
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid (CID 106374605) is 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NCc1ncc(C)o1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is WAKVLEYBXYAURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-5-15(12(3,4)10(16)17)11(18)14-7-9-13-6-8(2)19-9/h6H,5,7H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 106374605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).