(3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid

C7H12N2O4 — CID 165174482

IUPAC(3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)N1CCOC1
InChIInChI=1S/C7H12N2O4/c8-5(3-6(10)11)7(12)9-1-2-13-4-9/h5H,1-4,8H2,(H,10,11)/t5-/m0/s1
InChIKeyDHOVGIQHAOBPSW-YFKPBYRVSA-N
MW188.18 g/mol
LogP-1.40
Rot. Bonds3

About (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid

(3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid (PubChem CID 165174482) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid
PubChem CID165174482
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)N1CCOC1
InChIInChI=1S/C7H12N2O4/c8-5(3-6(10)11)7(12)9-1-2-13-4-9/h5H,1-4,8H2,(H,10,11)/t5-/m0/s1
InChIKeyDHOVGIQHAOBPSW-YFKPBYRVSA-N
XLogP-1.40
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-oxo-4-(1,4-thiazepan-4-yl)butanoic acid
CID 64896344
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343
(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate
CID 11436688
3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
CID 64894748
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100
3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid
CID 107219711
3-amino-4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 64894985
3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 114678426
(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
CID 58619493
3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
CID 22054018
3-amino-4-(4-benzylpiperazin-1-yl)-4-oxobutanoic acid
CID 64896822
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid (CID 165174482) is (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid is N[C@@H](CC(=O)O)C(=O)N1CCOC1.
What is the InChIKey of (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
The InChIKey is DHOVGIQHAOBPSW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-5(3-6(10)11)7(12)9-1-2-13-4-9/h5H,1-4,8H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
(3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid has a molecular weight of 188.18 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 165174482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).