(2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide

C10H17N3O3 — CID 118531993

IUPAC(2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CNC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-6(12-7(2)14)10(16)13(3)8-4-9(15)11-5-8/h6,8H,4-5H2,1-3H3,(H,11,15)(H,12,14)/t6-,8+/m0/s1
InChIKeyHBWPZARYZXFQRC-POYBYMJQSA-N
MW227.26 g/mol
LogP-1.14
Rot. Bonds3

About (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide

(2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 118531993) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID118531993
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide
SMILESCC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CNC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-6(12-7(2)14)10(16)13(3)8-4-9(15)11-5-8/h6,8H,4-5H2,1-3H3,(H,11,15)(H,12,14)/t6-,8+/m0/s1
InChIKeyHBWPZARYZXFQRC-POYBYMJQSA-N
XLogP-1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide (CID 118531993) is (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide is CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CNC(=O)C1.
What is the InChIKey of (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is HBWPZARYZXFQRC-POYBYMJQSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(12-7(2)14)10(16)13(3)8-4-9(15)11-5-8/h6,8H,4-5H2,1-3H3,(H,11,15)(H,12,14)/t6-,8+/m0/s1.
What are the key properties of (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide?
(2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 227.26 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-methyl-N-[(3R)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 118531993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).