2-amino-3-hydroxybutanoic acid

C4H9NO3 — CID 205

IUPAC2-amino-3-hydroxybutanoic acid
SMILESCC(O)C(N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKeyAYFVYJQAPQTCCC-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.22
Rot. Bonds2

About 2-amino-3-hydroxybutanoic acid

2-amino-3-hydroxybutanoic acid (PubChem CID 205) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid
PubChem CID205
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-amino-3-hydroxybutanoic acid
SMILESCC(O)C(N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChIKeyAYFVYJQAPQTCCC-UHFFFAOYSA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

L-Threonine
CID 6288
Allothreonine, L-
CID 99289
(2S,3R)-2-ammonio-3-hydroxybutanoate
CID 6971019
D-Threonine
CID 69435
4-Amino-3-hydroxybutanoic acid
CID 2149
D-Allothreonine
CID 90624
(2S,3S)-2-azaniumyl-3-hydroxybutanoate
CID 6995276
gamma-Amino-beta-hydroxybutyric acid, (-)-
CID 2733883
(S)-4-Amino-3-hydroxybutanoic acid
CID 6971281
O-Methylthreonine
CID 2724875
(3R)-2-amino-3-hydroxybutanoic acid
CID 17757244
Methyl DL-serinate hydrochloride
CID 517373

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid?
The IUPAC name of 2-amino-3-hydroxybutanoic acid (CID 205) is 2-amino-3-hydroxybutanoic acid.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid is CC(O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid?
The InChIKey is AYFVYJQAPQTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-hydroxybutanoic acid?
2-amino-3-hydroxybutanoic acid has a molecular weight of 119.12 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid is sourced from PubChem (CID 205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).