(2S)-2-methoxy-4-methylpentanoic acid

C7H14O3 — CID 89093087

IUPAC(2S)-2-methoxy-4-methylpentanoic acid
SMILESCO[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(2)4-6(10-3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeyMJHYCHHBCQHJNB-LURJTMIESA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-methoxy-4-methylpentanoic acid

(2S)-2-methoxy-4-methylpentanoic acid (PubChem CID 89093087) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2-methoxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-4-methylpentanoic acid
PubChem CID89093087
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S)-2-methoxy-4-methylpentanoic acid
SMILESCO[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(2)4-6(10-3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeyMJHYCHHBCQHJNB-LURJTMIESA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-methylpentanamide
CID 130746931
(2S)-2-methoxy-5-methylhexanoic acid
CID 158935693
(2R)-2-acetyloxy-4-methylpentanoic acid
CID 71346795
CID 159429006
CID 159429006
(2S)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid;hydrochloride
CID 53360483
(2R)-3-hydroxy-2-methoxypropanoic acid
CID 20849197
4-methyl-2-phosphonooxypentanoic acid
CID 123780215
(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid
CID 118199112
(E)-2-methoxy-7-methyloct-4-enoic acid
CID 14570358
2,7-dimethoxyoctanedioic acid
CID 22717305
(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
CID 101261454
(2R)-2-(2,2-dichloroacetyl)oxy-4-methylpentanoic acid
CID 22803540

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-4-methylpentanoic acid?
The IUPAC name of (2S)-2-methoxy-4-methylpentanoic acid (CID 89093087) is (2S)-2-methoxy-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-methoxy-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-methoxy-4-methylpentanoic acid is CO[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-methoxy-4-methylpentanoic acid?
The InChIKey is MJHYCHHBCQHJNB-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)4-6(10-3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-methoxy-4-methylpentanoic acid?
(2S)-2-methoxy-4-methylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-4-methylpentanoic acid is sourced from PubChem (CID 89093087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).