1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C10H17N3O3 — CID 61405416

IUPAC1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)N1CCNCC1
InChIInChI=1S/C10H17N3O3/c14-9(15)8-2-1-5-13(8)10(16)12-6-3-11-4-7-12/h8,11H,1-7H2,(H,14,15)
InChIKeyCCLSIEISSYQKNU-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.44
Rot. Bonds1

About 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61405416) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61405416
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)N1CCNCC1
InChIInChI=1S/C10H17N3O3/c14-9(15)8-2-1-5-13(8)10(16)12-6-3-11-4-7-12/h8,11H,1-7H2,(H,14,15)
InChIKeyCCLSIEISSYQKNU-UHFFFAOYSA-N
XLogP-0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
(2R)-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922708
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61423276
(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 78922997
1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 66062800
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
(2R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104921458

Frequently Asked Questions

What is the IUPAC name of 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 61405416) is 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)N1CCNCC1.
What is the InChIKey of 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CCLSIEISSYQKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9(15)8-2-1-5-13(8)10(16)12-6-3-11-4-7-12/h8,11H,1-7H2,(H,14,15).
What are the key properties of 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61405416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).