[1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate

C10H18N4O3 — CID 168822375

IUPAC[1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate
SMILESNC(=O)C(=O)OC1CNCCN1[C@@H]1CCNC1
InChIInChI=1S/C10H18N4O3/c11-9(15)10(16)17-8-6-13-3-4-14(8)7-1-2-12-5-7/h7-8,12-13H,1-6H2,(H2,11,15)/t7-,8?/m1/s1
InChIKeyOJZAYELFOTWKHA-GVHYBUMESA-N
MW242.28 g/mol
LogP-2.39
Rot. Bonds2

About [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate

[1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate (PubChem CID 168822375) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate.

Molecular Properties

Compound Name[1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate
PubChem CID168822375
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name[1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate
SMILESNC(=O)C(=O)OC1CNCCN1[C@@H]1CCNC1
InChIInChI=1S/C10H18N4O3/c11-9(15)10(16)17-8-6-13-3-4-14(8)7-1-2-12-5-7/h7-8,12-13H,1-6H2,(H2,11,15)/t7-,8?/m1/s1
InChIKeyOJZAYELFOTWKHA-GVHYBUMESA-N
XLogP-2.39
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-2.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate?
The IUPAC name of [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate (CID 168822375) is [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate.
What is the SMILES notation for [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate?
The canonical SMILES for [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate is NC(=O)C(=O)OC1CNCCN1[C@@H]1CCNC1.
What is the InChIKey of [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate?
The InChIKey is OJZAYELFOTWKHA-GVHYBUMESA-N. The full InChI is InChI=1S/C10H18N4O3/c11-9(15)10(16)17-8-6-13-3-4-14(8)7-1-2-12-5-7/h7-8,12-13H,1-6H2,(H2,11,15)/t7-,8?/m1/s1.
What are the key properties of [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate?
[1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate has a molecular weight of 242.28 g/mol, XLogP of -2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate is sourced from PubChem (CID 168822375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).