(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid

C11H19N3O3 — CID 78922997

IUPAC(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C11H19N3O3/c15-10(8-13-6-3-12-4-7-13)14-5-1-2-9(14)11(16)17/h9,12H,1-8H2,(H,16,17)/t9-/m1/s1
InChIKeyRDRDQUQOEDXXEG-SECBINFHSA-N
MW241.29 g/mol
LogP-1.03
Rot. Bonds3

About (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922997) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID78922997
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CN1CCNCC1
InChIInChI=1S/C11H19N3O3/c15-10(8-13-6-3-12-4-7-13)14-5-1-2-9(14)11(16)17/h9,12H,1-8H2,(H,16,17)/t9-/m1/s1
InChIKeyRDRDQUQOEDXXEG-SECBINFHSA-N
XLogP-1.03
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
2-[1-(2-piperazin-1-ylacetyl)pyrrolidin-2-yl]acetic acid
CID 61371940
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 114627151
2-(1,4-diazepan-1-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107217718
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid (CID 78922997) is (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CN1CCNCC1.
What is the InChIKey of (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RDRDQUQOEDXXEG-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(8-13-6-3-12-4-7-13)14-5-1-2-9(14)11(16)17/h9,12H,1-8H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).