(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid

C12H22N2O3 — CID 28705148

IUPAC(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)12(2,3)4/h9H,5-8H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyROEXQYBROINXNV-SECBINFHSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds2

About (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid

(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid (PubChem CID 28705148) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
PubChem CID28705148
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)12(2,3)4/h9H,5-8H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyROEXQYBROINXNV-SECBINFHSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-amino-2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
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2-[4-(2-amino-2-methylbutanoyl)piperazin-1-yl]propanoic acid
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2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
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2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]propanoic acid
CID 63833922
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-(4-tert-butylsulfonylpiperazin-1-yl)propanoic acid
CID 63688042
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]propanoic acid
CID 62317940
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid (CID 28705148) is (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid?
The InChIKey is ROEXQYBROINXNV-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)12(2,3)4/h9H,5-8H2,1-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid?
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 28705148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).