2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid

C9H14N2O3 — CID 91758166

IUPAC2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc([C@H](N)C(C)C)nc1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-4(2)6(10)8-11-7(9(12)13)5(3)14-8/h4,6H,10H2,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyINTUKMRCJXALRM-ZCFIWIBFSA-N
MW198.22 g/mol
LogP1.34
Rot. Bonds3

About 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 91758166) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID91758166
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc([C@H](N)C(C)C)nc1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-4(2)6(10)8-11-7(9(12)13)5(3)14-8/h4,6H,10H2,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyINTUKMRCJXALRM-ZCFIWIBFSA-N
XLogP1.34
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 91758166) is 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc([C@H](N)C(C)C)nc1C(=O)O.
What is the InChIKey of 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is INTUKMRCJXALRM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4(2)6(10)8-11-7(9(12)13)5(3)14-8/h4,6H,10H2,1-3H3,(H,12,13)/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 91758166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).