3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid

C12H16N2O5 — CID 66156133

IUPAC3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCOCc1cc(C(=O)N(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C12H16N2O5/c1-18-7-9-6-10(13-19-9)12(17)14(8-2-3-8)5-4-11(15)16/h6,8H,2-5,7H2,1H3,(H,15,16)
InChIKeyBIFNJKVFDFXRDP-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.90
Rot. Bonds7

About 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid

3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (PubChem CID 66156133) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
PubChem CID66156133
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCOCc1cc(C(=O)N(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C12H16N2O5/c1-18-7-9-6-10(13-19-9)12(17)14(8-2-3-8)5-4-11(15)16/h6,8H,2-5,7H2,1H3,(H,15,16)
InChIKeyBIFNJKVFDFXRDP-UHFFFAOYSA-N
XLogP0.90
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-piperidin-4-yl-N-propyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119824672
5-(methoxymethyl)-N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 66157781
N-cyclopropyl-5-(methoxymethyl)-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106628709
5-(methoxymethyl)-N-methyl-N-(4-oxocyclohexyl)-1,2-oxazole-3-carboxamide
CID 79119889
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 63024405
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 113263189
N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 56754087
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 43577020
N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103707640

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (CID 66156133) is 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is COCc1cc(C(=O)N(CCC(=O)O)C2CC2)no1.
What is the InChIKey of 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The InChIKey is BIFNJKVFDFXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-7-9-6-10(13-19-9)12(17)14(8-2-3-8)5-4-11(15)16/h6,8H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 66156133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).