2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid

C6H11NO4 — CID 127018998

IUPAC2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(O)CO1
InChIInChI=1S/C6H11NO4/c1-4(6(9)10)7-2-5(8)3-11-7/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyRADJYFPQZCRPHB-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.93
Rot. Bonds2

About 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid

2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid (PubChem CID 127018998) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid
PubChem CID127018998
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(O)CO1
InChIInChI=1S/C6H11NO4/c1-4(6(9)10)7-2-5(8)3-11-7/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyRADJYFPQZCRPHB-UHFFFAOYSA-N
XLogP-0.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Hydroxypyrrolidin-1-yl)propanoic acid
CID 62916476
(2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid
CID 130198796
(2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid
CID 139984127
(2S)-2-(3-hydroxypyrrolidin-1-yl)propanoic acid
CID 142774776
[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl] acetate
CID 145779300
[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl] acetate
CID 145779301
2-[(3S)-3-hydroxypyrrolidin-1-yl]propanoic acid
CID 64280683
2-[(3R)-3-hydroxypyrrolidin-1-yl]propanoic acid
CID 78967436
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]propanoic acid
CID 79410691
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoic acid
CID 79411088
methyl 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanoate
CID 79411172
2-[2,3-Dihydroxypropyl(methyl)amino]propanoic acid
CID 82849628

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid?
The IUPAC name of 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid (CID 127018998) is 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid?
The canonical SMILES for 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid is CC(C(=O)O)N1CC(O)CO1.
What is the InChIKey of 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid?
The InChIKey is RADJYFPQZCRPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(6(9)10)7-2-5(8)3-11-7/h4-5,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid?
2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,2-oxazolidin-2-yl)propanoic acid is sourced from PubChem (CID 127018998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).