(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide

C15H28N2O3 — CID 58114237

IUPAC(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
SMILESCCCC(=O)[C@H](C)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1
InChIInChI=1S/C15H28N2O3/c1-5-7-13(18)11(3)17-15(19)10(2)14(20-4)12-8-6-9-16-12/h10-12,14,16H,5-9H2,1-4H3,(H,17,19)/t10-,11+,12+,14-/m1/s1
InChIKeyRTWCNCVDAUJLPY-OWTLIXCDSA-N
MW284.40 g/mol
LogP1.26
Rot. Bonds8

About (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide

(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide (PubChem CID 58114237) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
PubChem CID58114237
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
SMILESCCCC(=O)[C@H](C)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1
InChIInChI=1S/C15H28N2O3/c1-5-7-13(18)11(3)17-15(19)10(2)14(20-4)12-8-6-9-16-12/h10-12,14,16H,5-9H2,1-4H3,(H,17,19)/t10-,11+,12+,14-/m1/s1
InChIKeyRTWCNCVDAUJLPY-OWTLIXCDSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
The IUPAC name of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide (CID 58114237) is (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide.
What is the SMILES notation for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
The canonical SMILES for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide is CCCC(=O)[C@H](C)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.
What is the InChIKey of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
The InChIKey is RTWCNCVDAUJLPY-OWTLIXCDSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-13(18)11(3)17-15(19)10(2)14(20-4)12-8-6-9-16-12/h10-12,14,16H,5-9H2,1-4H3,(H,17,19)/t10-,11+,12+,14-/m1/s1.
What are the key properties of (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide has a molecular weight of 284.40 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 58114237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).