(2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide

C9H16N2O3 — CID 59903977

IUPAC(2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H]1CC(=O)OC1C
InChIInChI=1S/C9H16N2O3/c1-5(10-3)9(13)11-7-4-8(12)14-6(7)2/h5-7,10H,4H2,1-3H3,(H,11,13)/t5-,6?,7-/m0/s1
InChIKeyWMTTXWQSJIQCNP-LOJRBXKRSA-N
MW200.24 g/mol
LogP-0.59
Rot. Bonds3

About (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide

(2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide (PubChem CID 59903977) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide
PubChem CID59903977
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H]1CC(=O)OC1C
InChIInChI=1S/C9H16N2O3/c1-5(10-3)9(13)11-7-4-8(12)14-6(7)2/h5-7,10H,4H2,1-3H3,(H,11,13)/t5-,6?,7-/m0/s1
InChIKeyWMTTXWQSJIQCNP-LOJRBXKRSA-N
XLogP-0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide (CID 59903977) is (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide is CN[C@@H](C)C(=O)N[C@H]1CC(=O)OC1C.
What is the InChIKey of (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide?
The InChIKey is WMTTXWQSJIQCNP-LOJRBXKRSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(10-3)9(13)11-7-4-8(12)14-6(7)2/h5-7,10H,4H2,1-3H3,(H,11,13)/t5-,6?,7-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide?
(2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide has a molecular weight of 200.24 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 59903977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).