(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid

C7H12N2O3 — CID 177212552

IUPAC(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C)C(=O)CN1C(=O)O
InChIInChI=1S/C7H12N2O3/c1-5-3-8(2)6(10)4-9(5)7(11)12/h5H,3-4H2,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyACDMGXURLXSTAP-RXMQYKEDSA-N
MW172.18 g/mol
LogP-0.17
Rot. Bonds

About (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid

(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid (PubChem CID 177212552) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
PubChem CID177212552
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C)C(=O)CN1C(=O)O
InChIInChI=1S/C7H12N2O3/c1-5-3-8(2)6(10)4-9(5)7(11)12/h5H,3-4H2,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyACDMGXURLXSTAP-RXMQYKEDSA-N
XLogP-0.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
CID 66733574
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
(6S,8aR)-6-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
CID 134325764
N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 138004745
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid
CID 68536511
4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylic acid
CID 68651622
tert-butyl 2-(1-hydroxybut-1-enyl)-4-methyl-5-oxopiperazine-1-carboxylate
CID 142382874
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
(6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 122458902
4-(2-aminoethyl)-2-methylpiperazine-1-carboxylic acid
CID 67016354

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid?
The IUPAC name of (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid (CID 177212552) is (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid?
The canonical SMILES for (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid is C[C@@H]1CN(C)C(=O)CN1C(=O)O.
What is the InChIKey of (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid?
The InChIKey is ACDMGXURLXSTAP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5-3-8(2)6(10)4-9(5)7(11)12/h5H,3-4H2,1-2H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid?
(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 177212552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).