(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide

C8H15N3O2 — CID 94915781

IUPAC(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)CNC(=O)[C@@H]1CCNC1
InChIInChI=1S/C8H15N3O2/c1-9-7(12)5-11-8(13)6-2-3-10-4-6/h6,10H,2-5H2,1H3,(H,9,12)(H,11,13)/t6-/m1/s1
InChIKeyYITAPTSAXIHYSX-ZCFIWIBFSA-N
MW185.23 g/mol
LogP-1.54
Rot. Bonds3

About (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide

(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide (PubChem CID 94915781) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
PubChem CID94915781
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)CNC(=O)[C@@H]1CCNC1
InChIInChI=1S/C8H15N3O2/c1-9-7(12)5-11-8(13)6-2-3-10-4-6/h6,10H,2-5H2,1H3,(H,9,12)(H,11,13)/t6-/m1/s1
InChIKeyYITAPTSAXIHYSX-ZCFIWIBFSA-N
XLogP-1.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide (CID 94915781) is (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide is CNC(=O)CNC(=O)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide?
The InChIKey is YITAPTSAXIHYSX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-7(12)5-11-8(13)6-2-3-10-4-6/h6,10H,2-5H2,1H3,(H,9,12)(H,11,13)/t6-/m1/s1.
What are the key properties of (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide?
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94915781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).