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

C10H17N3O4 — CID 55032221

IUPAC4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)N1CCNCC1
InChIInChI=1S/C10H17N3O4/c14-7-5-8(9(15)16)13(6-7)10(17)12-3-1-11-2-4-12/h7-8,11,14H,1-6H2,(H,15,16)
InChIKeyLJSSSSQZFZFUDY-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.47
Rot. Bonds1

About 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 55032221) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID55032221
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)N1CCNCC1
InChIInChI=1S/C10H17N3O4/c14-7-5-8(9(15)16)13(6-7)10(17)12-3-1-11-2-4-12/h7-8,11,14H,1-6H2,(H,15,16)
InChIKeyLJSSSSQZFZFUDY-UHFFFAOYSA-N
XLogP-1.47
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999935
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
(2R,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999818
(2S,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844233
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2R,4R)-1-(4-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000013
(2S,4R)-4-hydroxy-1-(4-hydroxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 81115602
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 55032221) is 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)N1CCNCC1.
What is the InChIKey of 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LJSSSSQZFZFUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c14-7-5-8(9(15)16)13(6-7)10(17)12-3-1-11-2-4-12/h7-8,11,14H,1-6H2,(H,15,16).
What are the key properties of 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55032221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).