2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid

C10H18N2O4 — CID 103224753

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H18N2O4/c1-10(2)9(15)11-4-5-12(10)7(6-16-3)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKHPVQCFKMLMYBT-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.70
Rot. Bonds4

About 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid

2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid (PubChem CID 103224753) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid
PubChem CID103224753
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H18N2O4/c1-10(2)9(15)11-4-5-12(10)7(6-16-3)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKHPVQCFKMLMYBT-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
CID 3157129
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
CID 63606639
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one
CID 63594571
2-(3,5-dioxo-1,2,4-triazolidin-4-yl)-3-methoxypropanoic acid
CID 107409547
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
methyl 2-acetamido-3-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoate
CID 65474799
4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one
CID 103209266
4-(2-methoxyethylsulfonyl)-3,3-dimethylpiperazin-2-one
CID 63608305
2-(4-hydroxy-4-methylazepan-1-yl)-3-methoxypropanoic acid
CID 107405187
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid (CID 103224753) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid is COCC(C(=O)O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid?
The InChIKey is KHPVQCFKMLMYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2)9(15)11-4-5-12(10)7(6-16-3)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 103224753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).