2-(2-amino-2-oxoethoxy)propanoic acid

C5H9NO4 — CID 88812452

IUPAC2-(2-amino-2-oxoethoxy)propanoic acid
SMILESCC(OCC(N)=O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(5(8)9)10-2-4(6)7/h3H,2H2,1H3,(H2,6,7)(H,8,9)
InChIKeyAJUXZOBMKYIUCD-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.04
Rot. Bonds4

About 2-(2-amino-2-oxoethoxy)propanoic acid

2-(2-amino-2-oxoethoxy)propanoic acid (PubChem CID 88812452) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)propanoic acid
PubChem CID88812452
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-(2-amino-2-oxoethoxy)propanoic acid
SMILESCC(OCC(N)=O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(5(8)9)10-2-4(6)7/h3H,2H2,1H3,(H2,6,7)(H,8,9)
InChIKeyAJUXZOBMKYIUCD-UHFFFAOYSA-N
XLogP-1.04
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
(2S)-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]propanoic acid
CID 104876420
2-ethoxypropanoic acid;methane
CID 160636954
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
(2S)-2-[2-(2-acetamidoethylamino)-2-oxoethoxy]propanoic acid
CID 104876100
(2R)-2-[2-(dipropylamino)-2-oxoethoxy]propanoic acid
CID 104875289
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-(2-fluoroethoxy)propanoic acid
CID 84648269
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435
(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
CID 104875798
2-heptan-4-yloxyacetamide
CID 145257872

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)propanoic acid?
The IUPAC name of 2-(2-amino-2-oxoethoxy)propanoic acid (CID 88812452) is 2-(2-amino-2-oxoethoxy)propanoic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)propanoic acid?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)propanoic acid is CC(OCC(N)=O)C(=O)O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)propanoic acid?
The InChIKey is AJUXZOBMKYIUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(5(8)9)10-2-4(6)7/h3H,2H2,1H3,(H2,6,7)(H,8,9).
What are the key properties of 2-(2-amino-2-oxoethoxy)propanoic acid?
2-(2-amino-2-oxoethoxy)propanoic acid has a molecular weight of 147.13 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)propanoic acid is sourced from PubChem (CID 88812452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).