2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid

C13H18N2O5 — CID 122067475

IUPAC2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid
SMILESCc1cc(COCC(=O)N(C2CC2)C(C)C(=O)O)on1
InChIInChI=1S/C13H18N2O5/c1-8-5-11(20-14-8)6-19-7-12(16)15(10-3-4-10)9(2)13(17)18/h5,9-10H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyPFJPELVVKMPESE-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.96
Rot. Bonds7

About 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid

2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid (PubChem CID 122067475) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid
PubChem CID122067475
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid
SMILESCc1cc(COCC(=O)N(C2CC2)C(C)C(=O)O)on1
InChIInChI=1S/C13H18N2O5/c1-8-5-11(20-14-8)6-19-7-12(16)15(10-3-4-10)9(2)13(17)18/h5,9-10H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyPFJPELVVKMPESE-UHFFFAOYSA-N
XLogP0.96
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone
CID 99839893
N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
CID 164634692
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone
CID 164634821
N,N-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanamine
CID 355100
(3-Methyl-1,2-oxazol-5-yl)methyl 1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 71896871
[2-(Cycloheptylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737605
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737713
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737714
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8099116
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8099120
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646176
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646179

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid (CID 122067475) is 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid is Cc1cc(COCC(=O)N(C2CC2)C(C)C(=O)O)on1.
What is the InChIKey of 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid?
The InChIKey is PFJPELVVKMPESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8-5-11(20-14-8)6-19-7-12(16)15(10-3-4-10)9(2)13(17)18/h5,9-10H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid?
2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetyl]amino]propanoic acid is sourced from PubChem (CID 122067475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).