3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid

C15H21N3O6 — CID 171550603

IUPAC3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(CCC(=O)O)co2)C(=O)C1
InChIInChI=1S/C15H21N3O6/c1-15(2,3)24-14(22)17-6-7-18(11(19)8-17)13-16-10(9-23-13)4-5-12(20)21/h9H,4-8H2,1-3H3,(H,20,21)
InChIKeySLAWPIOEXYVTLF-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.28
Rot. Bonds4

About 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid

3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid (PubChem CID 171550603) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid
PubChem CID171550603
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Name3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(CCC(=O)O)co2)C(=O)C1
InChIInChI=1S/C15H21N3O6/c1-15(2,3)24-14(22)17-6-7-18(11(19)8-17)13-16-10(9-23-13)4-5-12(20)21/h9H,4-8H2,1-3H3,(H,20,21)
InChIKeySLAWPIOEXYVTLF-UHFFFAOYSA-N
XLogP1.28
TPSA113.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 112547163
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
CID 162624837
tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate
CID 18009110
tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate
CID 11688552
tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
CID 140876667
tert-butyl 3-oxo-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 171482295
[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-pyridinyl]boronic acid
CID 171482287
tert-butyl 2-(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
CID 171550434
3-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 175661809
tert-butyl 3-oxo-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 71304664
2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 178131740

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid (CID 171550603) is 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid is CC(C)(C)OC(=O)N1CCN(c2nc(CCC(=O)O)co2)C(=O)C1.
What is the InChIKey of 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is SLAWPIOEXYVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-15(2,3)24-14(22)17-6-7-18(11(19)8-17)13-16-10(9-23-13)4-5-12(20)21/h9H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid?
3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 339.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 171550603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).