(3S)-3-hydroxy-4-methoxybutanoic acid

C5H10O4 — CID 124506936

IUPAC(3S)-3-hydroxy-4-methoxybutanoic acid
SMILESCOC[C@@H](O)CC(=O)O
InChIInChI=1S/C5H10O4/c1-9-3-4(6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyIZMXMDXNRWMDCV-BYPYZUCNSA-N
MW134.13 g/mol
LogP-0.53
Rot. Bonds4

About (3S)-3-hydroxy-4-methoxybutanoic acid

(3S)-3-hydroxy-4-methoxybutanoic acid (PubChem CID 124506936) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-methoxybutanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-methoxybutanoic acid
PubChem CID124506936
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name(3S)-3-hydroxy-4-methoxybutanoic acid
SMILESCOC[C@@H](O)CC(=O)O
InChIInChI=1S/C5H10O4/c1-9-3-4(6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyIZMXMDXNRWMDCV-BYPYZUCNSA-N
XLogP-0.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride
CID 173266858
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
3-hydroxy-4-(2-methoxyethylsulfanyl)butanoic acid
CID 82775924
5-hydroxy-6-methoxy-2-methylhex-1-en-3-one
CID 90779314
3-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-oxobutanoic acid
CID 64895957
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
(3S)-4-[[2-(ethylamino)-3-methoxypropyl]amino]-3-hydroxybutanoic acid
CID 170227512
4,4,4-trifluoro-3-(methoxymethyl)butanoic acid
CID 82405962
1,5-dimethoxypentane-2,4-diol
CID 88937884
3-hydroxypentanoic acid;methanol
CID 174973747

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4-methoxybutanoic acid?
The IUPAC name of (3S)-3-hydroxy-4-methoxybutanoic acid (CID 124506936) is (3S)-3-hydroxy-4-methoxybutanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-4-methoxybutanoic acid?
The canonical SMILES for (3S)-3-hydroxy-4-methoxybutanoic acid is COC[C@@H](O)CC(=O)O.
What is the InChIKey of (3S)-3-hydroxy-4-methoxybutanoic acid?
The InChIKey is IZMXMDXNRWMDCV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10O4/c1-9-3-4(6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-methoxybutanoic acid?
(3S)-3-hydroxy-4-methoxybutanoic acid has a molecular weight of 134.13 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4-methoxybutanoic acid is sourced from PubChem (CID 124506936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).