(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C10H17N3O3 — CID 112757661

IUPAC(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CCNCC2)N1
InChIInChI=1S/C10H17N3O3/c14-9(13-5-3-11-4-6-13)7-1-2-8(12-7)10(15)16/h7-8,11-12H,1-6H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyBSEKVSKXNUMJLY-JGVFFNPUSA-N
MW227.26 g/mol
LogP-1.38
Rot. Bonds2

About (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 112757661) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID112757661
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CCNCC2)N1
InChIInChI=1S/C10H17N3O3/c14-9(13-5-3-11-4-6-13)7-1-2-8(12-7)10(15)16/h7-8,11-12H,1-6H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyBSEKVSKXNUMJLY-JGVFFNPUSA-N
XLogP-1.38
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 112757661) is (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)N2CCNCC2)N1.
What is the InChIKey of (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BSEKVSKXNUMJLY-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9(13-5-3-11-4-6-13)7-1-2-8(12-7)10(15)16/h7-8,11-12H,1-6H2,(H,15,16)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112757661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).