2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid

C9H14N2O4 — CID 114982862

IUPAC2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)[C@@H](CO)Nc1nc(C(=O)O)co1
InChIInChI=1S/C9H14N2O4/c1-5(2)6(3-12)10-9-11-7(4-15-9)8(13)14/h4-6,12H,3H2,1-2H3,(H,10,11)(H,13,14)/t6-/m1/s1
InChIKeyDXNSLZYEZKRQOE-ZCFIWIBFSA-N
MW214.22 g/mol
LogP0.80
Rot. Bonds5

About 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 114982862) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
PubChem CID114982862
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)[C@@H](CO)Nc1nc(C(=O)O)co1
InChIInChI=1S/C9H14N2O4/c1-5(2)6(3-12)10-9-11-7(4-15-9)8(13)14/h4-6,12H,3H2,1-2H3,(H,10,11)(H,13,14)/t6-/m1/s1
InChIKeyDXNSLZYEZKRQOE-ZCFIWIBFSA-N
XLogP0.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid (CID 114982862) is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid is CC(C)[C@@H](CO)Nc1nc(C(=O)O)co1.
What is the InChIKey of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is DXNSLZYEZKRQOE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5(2)6(3-12)10-9-11-7(4-15-9)8(13)14/h4-6,12H,3H2,1-2H3,(H,10,11)(H,13,14)/t6-/m1/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid?
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 114982862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).