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

C10H18N2O3 — CID 3274793

IUPAC2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)CN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)6-12-4-3-11-10(15)8(12)5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyVBMLEMPUUKCWEB-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds4

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

2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 3274793) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID3274793
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)CN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)6-12-4-3-11-10(15)8(12)5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyVBMLEMPUUKCWEB-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid (CID 3274793) is 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid is CC(C)CN1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is VBMLEMPUUKCWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)6-12-4-3-11-10(15)8(12)5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 3274793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).