(2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid

C7H15NO6 — CID 87925578

IUPAC(2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NOCC(O)CO)C(=O)O
InChIInChI=1S/C7H15NO6/c1-4(10)6(7(12)13)8-14-3-5(11)2-9/h4-6,8-11H,2-3H2,1H3,(H,12,13)/t4-,5?,6+/m1/s1
InChIKeyJEYFZLZWHULZLQ-QBQQJPCDSA-N
MW209.20 g/mol
LogP-2.31
Rot. Bonds7

About (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid

(2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid (PubChem CID 87925578) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid
PubChem CID87925578
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Name(2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NOCC(O)CO)C(=O)O
InChIInChI=1S/C7H15NO6/c1-4(10)6(7(12)13)8-14-3-5(11)2-9/h4-6,8-11H,2-3H2,1H3,(H,12,13)/t4-,5?,6+/m1/s1
InChIKeyJEYFZLZWHULZLQ-QBQQJPCDSA-N
XLogP-2.31
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
CID 130438480
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(2S,3R)-3-hydroxy-2-(hydroxymethylamino)butanoic acid
CID 54383324
(2S)-2-(2,3-dihydroxypropylamino)-3-methylbutanoic acid
CID 54486502
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 157221053
2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
CID 174626088
2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
CID 87578762
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
(2S,3R)-3-hydroxy-2-(sulfanylmethylamino)butanoic acid
CID 87314479
(2S)-3-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 139430355
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 18224109

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid (CID 87925578) is (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NOCC(O)CO)C(=O)O.
What is the InChIKey of (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid?
The InChIKey is JEYFZLZWHULZLQ-QBQQJPCDSA-N. The full InChI is InChI=1S/C7H15NO6/c1-4(10)6(7(12)13)8-14-3-5(11)2-9/h4-6,8-11H,2-3H2,1H3,(H,12,13)/t4-,5?,6+/m1/s1.
What are the key properties of (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid?
(2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid has a molecular weight of 209.20 g/mol, XLogP of -2.31, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2,3-dihydroxypropoxyamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 87925578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).