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

C11H20N2O3 — CID 2997175

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)7-13-5-4-12-10(16)8(13)6-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyOHVZFAKJLVVGKW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds3

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

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 2997175) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID2997175
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)7-13-5-4-12-10(16)8(13)6-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyOHVZFAKJLVVGKW-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Methyl-3-oxopiperazin-2-yl)acetic acid
CID 653824
Aspartyl-alanyl-diketopiperazine
CID 9815453
4-(2,2-Dimethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 1089068
2-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]acetic acid
CID 57345543
Aspartylvaline
CID 4991131
Cairomycin A
CID 133131
Ala-Asp-Gly
CID 13891595
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
Asp-Val
CID 7009616
(3S)-3-acetamido-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 44271474
(S)-3-Amino-N-((S)-1-carbamoyl-ethyl)-succinamic acid
CID 44398529
N,N,N~2~-Triethyl-alpha-asparagine
CID 206736

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid (CID 2997175) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid is CC(C)(C)CN1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is OHVZFAKJLVVGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)7-13-5-4-12-10(16)8(13)6-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 2997175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).