(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide

C8H15N3O2 — CID 94537622

IUPAC(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H15N3O2/c1-9-4-5-10-8(13)6-2-3-7(12)11-6/h6,9H,2-5H2,1H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyVWZVXAJKHVNPCD-LURJTMIESA-N
MW185.23 g/mol
LogP-1.40
Rot. Bonds4

About (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 94537622) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID94537622
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNCCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H15N3O2/c1-9-4-5-10-8(13)6-2-3-7(12)11-6/h6,9H,2-5H2,1H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyVWZVXAJKHVNPCD-LURJTMIESA-N
XLogP-1.40
TPSA70.23 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 ≤ 5-1.40
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

5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 104593841
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119619815
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 94537622) is (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide is CNCCNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VWZVXAJKHVNPCD-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-4-5-10-8(13)6-2-3-7(12)11-6/h6,9H,2-5H2,1H3,(H,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 94537622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).