2-(1,3-oxazolidin-2-yl)propanoic acid

C6H11NO3 — CID 21413037

IUPAC2-(1,3-oxazolidin-2-yl)propanoic acid
SMILESCC(C(=O)O)C1NCCO1
InChIInChI=1S/C6H11NO3/c1-4(6(8)9)5-7-2-3-10-5/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyZXKYHIIRQZOSCF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.35
Rot. Bonds2

About 2-(1,3-oxazolidin-2-yl)propanoic acid

2-(1,3-oxazolidin-2-yl)propanoic acid (PubChem CID 21413037) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(1,3-oxazolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,3-oxazolidin-2-yl)propanoic acid
PubChem CID21413037
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(1,3-oxazolidin-2-yl)propanoic acid
SMILESCC(C(=O)O)C1NCCO1
InChIInChI=1S/C6H11NO3/c1-4(6(8)9)5-7-2-3-10-5/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyZXKYHIIRQZOSCF-UHFFFAOYSA-N
XLogP-0.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazolidiniumylacetat
CID 129890532
2-(1,3-Oxazolidin-2-yl)acetic acid
CID 53838113
Methyl 2-(1,3-oxazolidin-2-yl)propanoate
CID 70600522
3-(1,3-Oxazolidin-3-ium-3-yl)propanoic acid
CID 143885197
2,3-Dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid
CID 154159937
(4S)-2-(carboxymethyl)-1,3-oxazolidine-4-carboxylic acid
CID 24804859
2-Isopropyloxazolidine-4-carboxylic acid
CID 45096105
2-Ethyl-2-methyl-1,3-oxazolidine-4-carboxylic acid
CID 84049667
Ethyl 2-(1,3-oxazolidin-2-yl)acetate
CID 85699554
Methyl 2-(2-methyl-1,3-oxazolidin-2-yl)propanoate
CID 129928485
(4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 131846770
2-Ethyl-1,3-oxazolidine-4-carboxylic acid
CID 152660925

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazolidin-2-yl)propanoic acid?
The IUPAC name of 2-(1,3-oxazolidin-2-yl)propanoic acid (CID 21413037) is 2-(1,3-oxazolidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(1,3-oxazolidin-2-yl)propanoic acid?
The canonical SMILES for 2-(1,3-oxazolidin-2-yl)propanoic acid is CC(C(=O)O)C1NCCO1.
What is the InChIKey of 2-(1,3-oxazolidin-2-yl)propanoic acid?
The InChIKey is ZXKYHIIRQZOSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(8)9)5-7-2-3-10-5/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(1,3-oxazolidin-2-yl)propanoic acid?
2-(1,3-oxazolidin-2-yl)propanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidin-2-yl)propanoic acid is sourced from PubChem (CID 21413037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).