(3S)-4-amino-3-hydroxybutanoic acid

C4H9NO3 — CID 6971281

IUPAC(3S)-4-amino-3-hydroxybutanoic acid
SMILESNC[C@@H](O)CC(=O)O
InChIInChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
InChIKeyYQGDEPYYFWUPGO-VKHMYHEASA-N
MW119.12 g/mol
LogP-1.22
Rot. Bonds3

About (3S)-4-amino-3-hydroxybutanoic acid

(3S)-4-amino-3-hydroxybutanoic acid (PubChem CID 6971281) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (3S)-4-amino-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(3S)-4-amino-3-hydroxybutanoic acid
PubChem CID6971281
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(3S)-4-amino-3-hydroxybutanoic acid
SMILESNC[C@@H](O)CC(=O)O
InChIInChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
InChIKeyYQGDEPYYFWUPGO-VKHMYHEASA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-3-hydroxybutanoic acid?
The IUPAC name of (3S)-4-amino-3-hydroxybutanoic acid (CID 6971281) is (3S)-4-amino-3-hydroxybutanoic acid.
What is the SMILES notation for (3S)-4-amino-3-hydroxybutanoic acid?
The canonical SMILES for (3S)-4-amino-3-hydroxybutanoic acid is NC[C@@H](O)CC(=O)O.
What is the InChIKey of (3S)-4-amino-3-hydroxybutanoic acid?
The InChIKey is YQGDEPYYFWUPGO-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1.
What are the key properties of (3S)-4-amino-3-hydroxybutanoic acid?
(3S)-4-amino-3-hydroxybutanoic acid has a molecular weight of 119.12 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-3-hydroxybutanoic acid is sourced from PubChem (CID 6971281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).