(3S)-3-methoxybutanoic acid

C5H10O3 — CID 51374275

IUPAC(3S)-3-methoxybutanoic acid
SMILESCO[C@@H](C)CC(=O)O
InChIInChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1
InChIKeyMXJDPWXQIVDAPH-BYPYZUCNSA-N
MW118.13 g/mol
LogP0.50
Rot. Bonds3

About (3S)-3-methoxybutanoic acid

(3S)-3-methoxybutanoic acid (PubChem CID 51374275) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (3S)-3-methoxybutanoic acid.

Molecular Properties

Compound Name(3S)-3-methoxybutanoic acid
PubChem CID51374275
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(3S)-3-methoxybutanoic acid
SMILESCO[C@@H](C)CC(=O)O
InChIInChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1
InChIKeyMXJDPWXQIVDAPH-BYPYZUCNSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-methylhexanoic acid
CID 150312715
(4R)-4-methoxypentan-2-one
CID 10749159
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
2-iodobenzoic acid;3-methoxybutanoic acid
CID 159294004
3-ethoxybutanoic acid
CID 20508399
3-trimethylsilyloxybutanoic acid
CID 11008465
3-carbonofluoridoyloxybutanoic acid
CID 130374957
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
3-[(E)-4-(1-carboxypropan-2-yloxy)-4-oxobut-2-enoyl]oxybutanoic acid
CID 175499750
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-(trifluoromethoxy)butanoic acid
CID 87118364

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxybutanoic acid?
The IUPAC name of (3S)-3-methoxybutanoic acid (CID 51374275) is (3S)-3-methoxybutanoic acid.
What is the SMILES notation for (3S)-3-methoxybutanoic acid?
The canonical SMILES for (3S)-3-methoxybutanoic acid is CO[C@@H](C)CC(=O)O.
What is the InChIKey of (3S)-3-methoxybutanoic acid?
The InChIKey is MXJDPWXQIVDAPH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1.
What are the key properties of (3S)-3-methoxybutanoic acid?
(3S)-3-methoxybutanoic acid has a molecular weight of 118.13 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxybutanoic acid is sourced from PubChem (CID 51374275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).