(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid

C5H10N2O4 — CID 24820118

IUPAC(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C[C@H](O)NO1
InChIInChI=1S/C5H10N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2-4,7-8H,1,6H2,(H,9,10)/t2-,3-,4-/m0/s1
InChIKeyGISPACFXZALVNT-HZLVTQRSSA-N
MW162.15 g/mol
LogP-1.99
Rot. Bonds2

About (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid

(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid (PubChem CID 24820118) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid
PubChem CID24820118
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C[C@H](O)NO1
InChIInChI=1S/C5H10N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2-4,7-8H,1,6H2,(H,9,10)/t2-,3-,4-/m0/s1
InChIKeyGISPACFXZALVNT-HZLVTQRSSA-N
XLogP-1.99
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-[[(3R)-5-[(S)-amino(carboxy)methyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid
CID 137348338
2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
CID 89219684
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042
(2S)-2-amino-2-[(2S,4R,5R,6R)-6-(2,4-dioxopyrimidin-1-yl)-4,5-dihydroxyoxan-2-yl]acetic acid
CID 11301064
(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
CID 46188742
(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 122229668
(2S)-2-amino-2-[(2R)-piperidin-2-yl]acetic acid
CID 15869910
2-amino-2-(5-methyloxolan-3-yl)acetic acid
CID 170558301
2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid
CID 162883051
trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclobutane-1-carboxylic acid
CID 10352165
(2S)-2-amino-2-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 124525084
(2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid
CID 102429117

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid (CID 24820118) is (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid is N[C@H](C(=O)O)[C@@H]1C[C@H](O)NO1.
What is the InChIKey of (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid?
The InChIKey is GISPACFXZALVNT-HZLVTQRSSA-N. The full InChI is InChI=1S/C5H10N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2-4,7-8H,1,6H2,(H,9,10)/t2-,3-,4-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid?
(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid has a molecular weight of 162.15 g/mol, XLogP of -1.99, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 24820118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).