(4S)-4-amino-4-methoxybutanoic acid

C5H11NO3 — CID 146176394

IUPAC(4S)-4-amino-4-methoxybutanoic acid
SMILESCO[C@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO3/c1-9-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyXVKCZTQWDMQIPX-BYPYZUCNSA-N
MW133.15 g/mol
LogP-0.22
Rot. Bonds4

About (4S)-4-amino-4-methoxybutanoic acid

(4S)-4-amino-4-methoxybutanoic acid (PubChem CID 146176394) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (4S)-4-amino-4-methoxybutanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-4-methoxybutanoic acid
PubChem CID146176394
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(4S)-4-amino-4-methoxybutanoic acid
SMILESCO[C@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO3/c1-9-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyXVKCZTQWDMQIPX-BYPYZUCNSA-N
XLogP-0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
4-aminopentanoic acid;ethane
CID 143436801
(3S)-3-methoxyhexanedioic acid
CID 12636073
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
butanoic acid;1-methoxyethanamine
CID 174560257
6-acetyloxy-4-methoxyhexanoic acid
CID 175550435
4-amino-4-fluorobutanoic acid
CID 20508342
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
2-aminopentanedioic acid
CID 611
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
CID 55254083
2-aminopentanedioic acid;2-methoxyethanol
CID 87638899

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-methoxybutanoic acid?
The IUPAC name of (4S)-4-amino-4-methoxybutanoic acid (CID 146176394) is (4S)-4-amino-4-methoxybutanoic acid.
What is the SMILES notation for (4S)-4-amino-4-methoxybutanoic acid?
The canonical SMILES for (4S)-4-amino-4-methoxybutanoic acid is CO[C@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-4-methoxybutanoic acid?
The InChIKey is XVKCZTQWDMQIPX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3/c1-9-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (4S)-4-amino-4-methoxybutanoic acid?
(4S)-4-amino-4-methoxybutanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-methoxybutanoic acid is sourced from PubChem (CID 146176394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).