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

C6H11NO3 — CID 57372548

IUPAC(2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid
SMILESC/C=N/[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C6H11NO3/c1-3-7-5(4(2)8)6(9)10/h3-5,8H,1-2H3,(H,9,10)/b7-3+/t4-,5+/m1/s1
InChIKeyGWZHLZDXVZJORH-HNIBNQALSA-N
MW145.16 g/mol
LogP-0.09
Rot. Bonds3

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

(2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid (PubChem CID 57372548) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid
PubChem CID57372548
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid
SMILESC/C=N/[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C6H11NO3/c1-3-7-5(4(2)8)6(9)10/h3-5,8H,1-2H3,(H,9,10)/b7-3+/t4-,5+/m1/s1
InChIKeyGWZHLZDXVZJORH-HNIBNQALSA-N
XLogP-0.09
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid (CID 57372548) is (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid is C/C=N/[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid?
The InChIKey is GWZHLZDXVZJORH-HNIBNQALSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-7-5(4(2)8)6(9)10/h3-5,8H,1-2H3,(H,9,10)/b7-3+/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid?
(2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 57372548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).