2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid

C11H18N2O5 — CID 2756051

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12-9(16)7(13)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyGVTOUAJILWSKTN-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.20
Rot. Bonds2

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 2756051) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID2756051
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12-9(16)7(13)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyGVTOUAJILWSKTN-UHFFFAOYSA-N
XLogP0.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid
CID 174799524
tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
tert-butyl (2S)-3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carboxylate
CID 7425634
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
tert-butyl (2R)-3-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazine-1-carboxylate
CID 7425635
2-[1-(5-aminohexanoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82851582
2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 79478909
2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 65458641
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 103555657

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid (CID 2756051) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid is CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is GVTOUAJILWSKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12-9(16)7(13)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 2756051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).