2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid

C12H17N3O4 — CID 106813533

IUPAC2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C(=O)c2ccon2)C1
InChIInChI=1S/C12H17N3O4/c16-11(17)7-13-6-9-2-1-4-15(8-9)12(18)10-3-5-19-14-10/h3,5,9,13H,1-2,4,6-8H2,(H,16,17)
InChIKeyDWIWJNYAXKHQKE-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.20
Rot. Bonds5

About 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813533) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813533
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C(=O)c2ccon2)C1
InChIInChI=1S/C12H17N3O4/c16-11(17)7-13-6-9-2-1-4-15(8-9)12(18)10-3-5-19-14-10/h3,5,9,13H,1-2,4,6-8H2,(H,16,17)
InChIKeyDWIWJNYAXKHQKE-UHFFFAOYSA-N
XLogP0.20
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813559
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
[(3R)-1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]urea
CID 177272408
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813539
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid (CID 106813533) is 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(C(=O)c2ccon2)C1.
What is the InChIKey of 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is DWIWJNYAXKHQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-11(17)7-13-6-9-2-1-4-15(8-9)12(18)10-3-5-19-14-10/h3,5,9,13H,1-2,4,6-8H2,(H,16,17).
What are the key properties of 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).