(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide

C8H15N3O2 — CID 103805016

IUPAC(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
SMILESNCCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H15N3O2/c9-4-1-5-10-8(13)6-2-3-7(12)11-6/h6H,1-5,9H2,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyMOGOEYJAEVHQTP-LURJTMIESA-N
MW185.23 g/mol
LogP-1.27
Rot. Bonds4

About (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 103805016) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID103805016
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
SMILESNCCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H15N3O2/c9-4-1-5-10-8(13)6-2-3-7(12)11-6/h6H,1-5,9H2,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyMOGOEYJAEVHQTP-LURJTMIESA-N
XLogP-1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

L-Prolinamide
CID 111306
Fasoracetam
CID 198695
Pyrrolidine-2-carboxamide
CID 550774
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-N-methylpyrrolidine-2-carboxamide
CID 10374482
5-Oxopyrrolidine-2-carboxamide
CID 220461
(2S)-aminobutyryl-L-prolinamide
CID 11579307
L-norvalyl-L-prolinamide
CID 11687141
(S)-5-Oxopyrrolidine-2-carboxamide
CID 444439

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide (CID 103805016) is (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide is NCCCNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MOGOEYJAEVHQTP-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c9-4-1-5-10-8(13)6-2-3-7(12)11-6/h6H,1-5,9H2,(H,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 103805016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).