(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid

C9H16N2O5 — CID 104876100

IUPAC(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid
SMILESCC(=O)NCCNC(=O)CO[C@@H](C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-6(9(14)15)16-5-8(13)11-4-3-10-7(2)12/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyFIQZPWQTIJJNKJ-LURJTMIESA-N
MW232.24 g/mol
LogP-1.27
Rot. Bonds7

About (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid

(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid (PubChem CID 104876100) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid
PubChem CID104876100
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid
SMILESCC(=O)NCCNC(=O)CO[C@@H](C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-6(9(14)15)16-5-8(13)11-4-3-10-7(2)12/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyFIQZPWQTIJJNKJ-LURJTMIESA-N
XLogP-1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-(butylamino)-2-oxoethoxy]propanoic acid
CID 104876101
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435
N-[2-(2-acetamidoethoxy)ethyl]-2-propan-2-yloxyacetamide
CID 142616646
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 142616578
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-pentan-2-yloxyacetamide
CID 156860402
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
2-[2-(butanoylamino)ethoxy]propanoic acid
CID 110495112
2-(2-amino-2-oxoethoxy)propanoic acid
CID 88812452

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid (CID 104876100) is (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid is CC(=O)NCCNC(=O)CO[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid?
The InChIKey is FIQZPWQTIJJNKJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O5/c1-6(9(14)15)16-5-8(13)11-4-3-10-7(2)12/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid?
(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104876100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).