3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid

C11H16N2O5 — CID 120520012

IUPAC3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCOc1cc(C(=O)N(CCC(=O)O)C(C)C)on1
InChIInChI=1S/C11H16N2O5/c1-7(2)13(5-4-10(14)15)11(16)8-6-9(17-3)12-18-8/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeySXZNZMQZQKUCGZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.01
Rot. Bonds6

About 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid

3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 120520012) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID120520012
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCOc1cc(C(=O)N(CCC(=O)O)C(C)C)on1
InChIInChI=1S/C11H16N2O5/c1-7(2)13(5-4-10(14)15)11(16)8-6-9(17-3)12-18-8/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeySXZNZMQZQKUCGZ-UHFFFAOYSA-N
XLogP1.01
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695
3-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207245
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207394
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62992810
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885231
3-[(2-methylpyrazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 54926839
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
CID 62849526

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid (CID 120520012) is 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid is COc1cc(C(=O)N(CCC(=O)O)C(C)C)on1.
What is the InChIKey of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is SXZNZMQZQKUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7(2)13(5-4-10(14)15)11(16)8-6-9(17-3)12-18-8/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120520012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).