(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

C10H21N3O — CID 62641676

IUPAC(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCCN(C)CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H21N3O/c1-3-13(2)8-7-12-10(14)9-5-4-6-11-9/h9,11H,3-8H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyKWTWTMAMUZJXHP-VIFPVBQESA-N
MW199.30 g/mol
LogP-0.19
Rot. Bonds5

About (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 62641676) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
PubChem CID62641676
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCCN(C)CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H21N3O/c1-3-13(2)8-7-12-10(14)9-5-4-6-11-9/h9,11H,3-8H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyKWTWTMAMUZJXHP-VIFPVBQESA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide (CID 62641676) is (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide is CCN(C)CCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KWTWTMAMUZJXHP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-13(2)8-7-12-10(14)9-5-4-6-11-9/h9,11H,3-8H2,1-2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 199.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 62641676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).