2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid

C7H12N2O4 — CID 57350456

IUPAC2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid
SMILESNC(CCN1CCC(=O)O1)C(=O)O
InChIInChI=1S/C7H12N2O4/c8-5(7(11)12)1-3-9-4-2-6(10)13-9/h5H,1-4,8H2,(H,11,12)
InChIKeyNYHRSUSPEYSYFX-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.05
Rot. Bonds4

About 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid

2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid (PubChem CID 57350456) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid
PubChem CID57350456
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid
SMILESNC(CCN1CCC(=O)O1)C(=O)O
InChIInChI=1S/C7H12N2O4/c8-5(7(11)12)1-3-9-4-2-6(10)13-9/h5H,1-4,8H2,(H,11,12)
InChIKeyNYHRSUSPEYSYFX-UHFFFAOYSA-N
XLogP-1.05
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
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(2R)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
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(2S,5S)-2,5-diaminohexanedioic acid
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2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanoic acid
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(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid
CID 101112605
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobutanoic acid
CID 82750702
(2S)-2-amino-4-sulfanylbutanoic acid
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2-amino-4-sulfanylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid?
The IUPAC name of 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid (CID 57350456) is 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid is NC(CCN1CCC(=O)O1)C(=O)O.
What is the InChIKey of 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid?
The InChIKey is NYHRSUSPEYSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-5(7(11)12)1-3-9-4-2-6(10)13-9/h5H,1-4,8H2,(H,11,12).
What are the key properties of 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid?
2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid has a molecular weight of 188.18 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid is sourced from PubChem (CID 57350456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).