(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid

C9H17NO5 — CID 104876418

IUPAC(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCOCCNC(=O)C(C)O[C@@H](C)C(=O)O
InChIInChI=1S/C9H17NO5/c1-6(15-7(2)9(12)13)8(11)10-4-5-14-3/h6-7H,4-5H2,1-3H3,(H,10,11)(H,12,13)/t6?,7-/m0/s1
InChIKeyMGVOQKMOCIOZHW-MLWJPKLSSA-N
MW219.24 g/mol
LogP-0.37
Rot. Bonds7

About (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid

(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid (PubChem CID 104876418) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid
PubChem CID104876418
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCOCCNC(=O)C(C)O[C@@H](C)C(=O)O
InChIInChI=1S/C9H17NO5/c1-6(15-7(2)9(12)13)8(11)10-4-5-14-3/h6-7H,4-5H2,1-3H3,(H,10,11)(H,12,13)/t6?,7-/m0/s1
InChIKeyMGVOQKMOCIOZHW-MLWJPKLSSA-N
XLogP-0.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 87160018
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-(azetidin-3-yloxy)-N-(2-methoxyethyl)propanamide
CID 63106262
2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 105353151
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 79794427
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The IUPAC name of (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid (CID 104876418) is (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid is COCCNC(=O)C(C)O[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The InChIKey is MGVOQKMOCIOZHW-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H17NO5/c1-6(15-7(2)9(12)13)8(11)10-4-5-14-3/h6-7H,4-5H2,1-3H3,(H,10,11)(H,12,13)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 104876418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).