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

C15H26N4O5 — CID 174799524

IUPAC2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCNCC1N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C15H26N4O5/c1-15(2,3)24-14(23)19-6-4-16-9-11(19)18-7-5-17-13(22)10(18)8-12(20)21/h10-11,16H,4-9H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyCGKHCCNLNOGAEX-UHFFFAOYSA-N
MW342.40 g/mol
LogP-0.57
Rot. Bonds3

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

2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 174799524) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID174799524
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCNCC1N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C15H26N4O5/c1-15(2,3)24-14(23)19-6-4-16-9-11(19)18-7-5-17-13(22)10(18)8-12(20)21/h10-11,16H,4-9H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyCGKHCCNLNOGAEX-UHFFFAOYSA-N
XLogP-0.57
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid with MolForge

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl (2S)-2-methylsulfanylpiperazine-1-carboxylate
CID 97170570
tert-butyl (2S)-3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carboxylate
CID 7425634
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 79478909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid (CID 174799524) is 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid is CC(C)(C)OC(=O)N1CCNCC1N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is CGKHCCNLNOGAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-15(2,3)24-14(23)19-6-4-16-9-11(19)18-7-5-17-13(22)10(18)8-12(20)21/h10-11,16H,4-9H2,1-3H3,(H,17,22)(H,20,21).
What are the key properties of 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 342.40 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 174799524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).